data_2khq_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 2khq _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 ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 C--O 1.242 0.673 0 CA-C-O 121.2 0.524 . . . . 63.41 111.399 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 49.5 p -77.38 161.34 28.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.797 -0.638 . . . . 73.45 110.833 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.61 -40.6 95.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 73.03 110.871 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.1 -56.55 19.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.036 0.446 . . . . 64.03 111.319 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.99 -34.24 77.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.518 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.05 -43.03 93.64 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.3 110.6 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.73 -45.87 81.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 73.45 110.457 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -67.76 -43.08 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.557 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.29 -51.01 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 73.44 110.491 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -52.92 -44.79 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.66 -0.7 . . . . 74.35 110.628 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.535 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 21.5 t80 -62.17 -57.95 9.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.72 -0.673 . . . . 63.33 111.032 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 tt0 -59.81 -34.75 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.686 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.41 -31.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 71.22 111.924 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -111.17 -58.05 2.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.452 0.538 . . . . 62.1 112.452 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 73.6 mmtt -86.83 -24.81 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.772 0.286 . . . . 73.52 111.772 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 19.8 tp -50.9 -53.79 43.92 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.917 0.71 . . . . 74.32 112.917 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.5 Cg_endo -64.81 -10.2 24.11 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.122 1.881 . . . . 71.11 113.656 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -104.35 -11.86 16.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.886 0.375 . . . . 61.13 110.941 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' ' 24' ' ' THR . 33.8 m -116.64 -178.99 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.065 0.46 . . . . 70.3 111.579 -174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -120.59 177.89 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.997 -0.547 . . . . 64.31 110.278 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.61 -30.22 71.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.37 . . . . 72.03 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -60.56 -33.39 72.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.241 0.543 . . . . 71.25 109.75 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.445 ' CB ' ' HB ' ' A' ' 20' ' ' VAL . 1.6 m -80.48 -33.82 36.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.436 -0.802 . . . . 73.03 110.246 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 9.4 mtpm? -56.85 -47.52 80.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.968 -0.56 . . . . 75.21 111.216 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -62.66 -29.34 70.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.527 -0.306 . . . . 71.2 111.187 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' ' HZ1' ' A' ' 70' ' ' LYS . 53.0 m-70 -65.84 -52.21 52.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.89 0.376 . . . . 74.13 110.166 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HE1' HG23 ' A' ' 24' ' ' THR . 46.3 m-85 -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.575 . . . . 74.23 111.245 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.6 -35.86 79.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.687 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -66.57 -40.04 88.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.195 0.521 . . . . 71.45 109.913 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.789 ' HB3' HD12 ' A' ' 71' ' ' LEU . . . -62.98 -46.4 87.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.705 -0.679 . . . . 74.41 109.89 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -56.03 -38.34 70.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.216 -0.902 . . . . 74.13 111.305 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 95.5 mttt -61.73 -43.17 99.37 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 120.791 0.329 . . . . 75.14 111.288 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -71.63 -34.08 69.5 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.227 -0.589 . . . . 74.1 110.32 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.19 -51.02 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.863 -0.608 . . . . 70.43 110.702 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 19.7 ptmt -65.88 -26.9 67.84 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 120.748 0.308 . . . . 73.11 110.895 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.87 -49.28 78.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 75.35 111.056 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -87.16 -49.27 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 73.13 111.248 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 44.5 m-85 -101.3 77.37 1.79 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.073 -0.512 . . . . 72.22 110.091 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 86.0 mtt180 -82.73 -67.29 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.625 -0.716 . . . . 74.43 111.0 -174.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -102.09 18.31 21.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.827 0.822 . . . . 71.02 109.091 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.668 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 51.8 tptt -80.43 114.35 19.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.455 -1.248 . . . . 71.11 110.137 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 92.6 mt -67.6 151.0 48.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.832 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.55 -35.1 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.821 -0.627 . . . . 64.1 111.952 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HA ' HG21 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -92.66 8.86 37.31 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.405 0.52 . . . . 65.35 112.405 -171.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.23 -1.23 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.831 -0.348 . . . . 63.45 111.422 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.447 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 17.8 mm -64.89 119.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.705 0.288 . . . . 75.03 111.066 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.69 149.76 22.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.681 -0.488 . . . . 64.23 109.681 173.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -70.21 -23.16 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.289 . . . . 74.33 111.261 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 17.2 p -69.57 -44.66 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.514 -0.312 . . . . 63.13 111.105 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 16.0 pt-20 -74.88 -30.58 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 64.12 110.293 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.577 ' HE1' HG21 ' A' ' 75' ' ' ILE . 78.7 t80 -61.28 -39.89 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.289 0.566 . . . . 74.44 109.737 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -43.57 98.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.333 -0.849 . . . . 73.31 109.444 176.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 50' ' ' THR . 66.1 mmtt -65.99 -33.61 76.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.968 -0.56 . . . . 37.47 110.637 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.548 ' CE2' HD22 ' A' ' 71' ' ' LEU . 63.6 t80 -61.5 -44.69 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.608 -0.724 . . . . 70.33 110.536 176.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.31 -39.46 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 64.34 111.412 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.15 -42.57 91.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 71.13 110.858 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -71.51 -38.16 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.954 -0.567 . . . . 74.12 110.385 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.07 -35.07 77.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.27 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.44 -5.51 67.77 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.741 -0.663 . . . . 54.55 112.766 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 101' ' ' SER . 83.5 mt -90.28 -21.04 22.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.962 0.41 . . . . 64.2 110.573 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 p -110.63 -16.49 13.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 75.42 112.209 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.8 m80 -136.14 162.65 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.149 -0.344 . . . . 74.05 111.23 -174.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.8 m -78.56 174.86 10.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 73.35 111.302 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.413 ' HA ' HG23 ' A' ' 68' ' ' ILE . 67.3 t80 -61.32 -45.39 94.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.244 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 30.1 tt0 -60.12 -34.42 73.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.929 0.395 . . . . 75.12 110.347 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 1.5 m -72.13 -44.43 63.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.826 -0.625 . . . . 73.21 111.123 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.413 HG23 ' HA ' ' A' ' 65' ' ' TYR . 13.2 tt -73.57 -34.48 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 73.35 110.85 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -62.99 -48.81 77.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 73.43 110.88 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.7 ptpt -66.11 -35.77 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.731 -0.387 . . . . 75.34 110.261 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 31' ' ' ALA . 24.2 tp -54.98 -48.92 72.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.392 . . . . 62.41 110.298 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.426 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.5 t30 -56.59 -47.26 79.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 74.34 111.012 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 p -64.05 -31.91 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.997 -0.281 . . . . 72.25 111.531 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -67.35 -49.97 61.85 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.629 -0.508 . . . . 74.4 109.629 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 ' HE1' ' A' ' 52' ' ' TYR . 73.9 mt -62.37 -43.64 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.604 -0.726 . . . . 74.42 110.67 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -57.53 -45.22 85.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.524 . . . . 73.44 110.847 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -70.72 -31.58 68.47 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.698 -0.228 . . . . 75.35 111.282 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.72 92.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.877 0.37 . . . . 65.53 110.48 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.447 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 62.7 m-85 -72.91 -35.0 66.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.868 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' HG21 ' A' ' 83' ' ' ILE . 25.5 t70 -63.55 -39.65 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 73.01 110.541 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 16.0 t70 -68.54 -49.52 58.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 74.13 109.944 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.41 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.858 -0.61 . . . . 75.21 111.724 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -71.76 -32.12 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 60.43 109.84 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.74 -36.3 83.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.619 -0.719 . . . . 74.24 109.909 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.2 mm-40 -86.83 -7.68 58.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.452 -0.795 . . . . 73.3 110.567 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.82 29.04 36.17 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.839 -0.619 . . . . 71.42 112.154 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -103.07 -48.97 3.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.602 0.239 . . . . 73.4 111.284 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.403 HG21 ' HA ' ' A' ' 45' ' ' LYS . 3.7 p -99.99 155.62 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.683 -0.407 . . . . 54.34 110.113 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 tt -131.1 -27.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.329 -0.396 . . . . 71.21 111.151 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -101.83 114.82 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.721 0.296 . . . . 74.33 110.938 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -105.38 107.65 59.6 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.202 -0.666 . . . . 73.34 109.202 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.18 13.68 2.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.002 2.468 . . . . 75.43 113.238 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -75.45 2.35 11.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.482 0.549 . . . . 73.23 112.482 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.01 -41.36 91.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.077 0.465 . . . . 72.44 110.525 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 mmtp -106.97 41.97 1.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 44.23 110.774 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.89 63.66 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.819 -0.628 . . . . 71.23 110.615 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.942 ' HB3' ' HD2' ' A' ' 99' ' ' HIS . 34.8 mt-10 -75.57 112.31 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.566 -0.743 . . . . 71.23 111.242 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.3 mt -80.89 65.62 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.847 -0.615 . . . . 71.12 110.744 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.942 ' HD2' ' HB3' ' A' ' 97' ' ' GLU . 42.4 m-70 -93.67 85.9 5.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 74.4 111.29 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.44 92.2 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.602 -0.888 . . . . 37.47 108.602 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.576 ' HB2' HD21 ' A' ' 61' ' ' LEU . 19.9 m . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.795 -0.639 . . . . 62.45 111.23 -171.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.552 0.691 . . . . 75.03 111.37 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.15 153.44 26.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.107 -0.951 . . . . 72.13 110.57 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.543 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 28.7 t80 -59.33 -42.14 90.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.747 -0.206 . . . . 73.22 111.44 -176.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 75.44 110.706 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.06 -37.5 87.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.669 -0.696 . . . . 70.14 110.98 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -67.14 -46.23 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 74.12 110.921 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.08 -48.35 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.327 0.392 . . . . 75.44 110.742 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.5 -42.92 82.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.544 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' HG21 ' A' ' 14' ' ' VAL . 26.0 tt0 -63.45 -47.78 80.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 63.45 110.109 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.586 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.4 t90 -55.61 -46.61 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.669 -0.696 . . . . 74.21 110.158 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.479 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 16.8 t80 -60.33 -48.51 81.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 73.44 111.36 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.803 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.0 tt0 -66.6 -24.56 66.35 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.855 0.36 . . . . 63.13 111.527 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 10' ' ' GLN . 59.0 t -89.25 -26.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.109 0.481 . . . . 75.33 110.764 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.921 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -101.73 -55.22 2.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.744 0.646 . . . . 62.44 112.744 -167.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 3.2 mptp? -109.73 -12.59 14.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.751 0.648 . . . . 73.51 112.751 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.803 HD22 ' HG3' ' A' ' 13' ' ' GLU . 28.0 tp -46.88 -57.04 9.88 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 113.113 0.783 . . . . 63.05 113.113 -171.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 96.7 Cg_endo -79.05 -0.94 11.18 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 121.621 1.547 . . . . 55.34 113.187 -176.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -108.51 -27.78 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.767 0.284 . . . . 74.35 111.767 -174.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.756 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.3 m -96.88 142.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.402 0.62 . . . . 74.45 111.482 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.7 m -80.95 173.97 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.43 -0.804 . . . . 74.42 110.258 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.8 pm0 -56.45 -36.71 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 75.22 111.166 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -56.04 -41.95 75.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.141 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.756 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -79.53 -30.68 41.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 72.03 110.621 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 7.9 mtpm? -60.65 -38.81 86.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.309 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 8.5 mmt-85 -58.83 -38.14 77.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 70.14 110.7 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -60.53 -54.81 40.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 75.4 110.931 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -64.33 -43.23 95.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 73.55 112.023 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.597 0.237 . . . . 63.31 111.603 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.4 m -74.45 -37.65 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 72.34 109.986 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.51 -44.52 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 65.1 110.085 175.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -57.3 -45.92 83.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.46 -0.791 . . . . 75.33 111.943 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -67.05 -34.28 77.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.622 -0.431 . . . . 62.25 111.159 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -70.33 -33.5 71.57 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.909 0.385 . . . . 72.44 110.722 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.3 mt -67.0 -46.74 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 72.12 110.511 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.47 -36.65 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 64.52 110.498 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.43 -50.46 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.906 . . . . 70.24 111.682 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.31 -56.48 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.44 0.533 . . . . 73.25 112.44 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.491 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 77.4 m-85 -84.73 59.51 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.337 0.589 . . . . 70.51 111.299 -173.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -65.49 114.8 5.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.558 -0.746 . . . . 73.15 110.221 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.4 m170 65.08 21.44 12.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.034 -0.53 . . . . 73.3 111.12 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.491 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 9.6 tptp -80.2 118.82 22.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.035 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.4 149.81 45.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.876 -0.602 . . . . 73.01 110.005 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.06 -30.74 71.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.153 0.501 . . . . 73.51 111.047 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -91.72 4.91 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.932 -0.576 . . . . 74.51 111.193 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 19.5 t70 -130.34 76.36 1.72 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.539 -0.3 . . . . 74.34 110.442 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 37.1 mt -142.14 128.23 18.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.173 0.511 . . . . 63.33 110.039 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.714 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 88.5 mttt -89.53 154.33 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.508 -0.769 . . . . 62.25 110.449 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.522 HH21 ' HG2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -57.69 -37.98 74.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.625 -0.716 . . . . 72.5 111.127 176.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -28.93 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.31 . . . . 73.44 111.418 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 48.4 mt-10 -72.24 -35.74 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 74.22 109.614 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' HH ' ' HB ' ' A' ' 75' ' ' ILE . 31.5 t80 -72.05 -41.14 67.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.678 . . . . 75.12 109.776 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' A' ' 95' ' ' LYS . 25.9 tm0? -56.05 -46.58 78.86 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.682 -0.69 . . . . 74.35 109.373 173.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -56.16 -53.43 57.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.272 -0.876 . . . . 65.44 110.502 176.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.585 ' CE2' HD23 ' A' ' 71' ' ' LEU . 83.5 t80 -54.1 -47.19 72.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.528 -0.76 . . . . 74.12 111.455 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 96' ' ' ALA . 76.5 mt -64.91 -39.19 93.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.422 -0.354 . . . . 74.53 111.379 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -61.9 -46.98 87.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.102 -0.239 . . . . 74.31 110.947 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 6.2 mm-40 -64.29 -37.36 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.331 0.586 . . . . 65.44 109.968 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.94 -41.39 78.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.654 -0.703 . . . . 75.01 110.902 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.77 75.38 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.019 -0.537 . . . . 75.33 112.795 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -82.56 -12.82 57.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.781 0.324 . . . . 73.51 110.923 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -141.41 18.22 2.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.074 0.464 . . . . 74.52 111.107 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -144.79 158.65 43.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 75.1 111.226 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -77.23 162.1 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.771 -0.65 . . . . 70.44 111.008 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -60.02 -42.3 94.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 73.14 111.696 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.5 -31.12 71.03 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.328 -0.549 . . . . 71.52 111.405 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -68.29 -44.03 76.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.875 0.369 . . . . 74.41 110.201 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -72.33 -33.36 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.203 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -57.33 -46.22 83.49 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.41 -0.359 . . . . 74.22 110.345 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -39.95 81.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.122 -0.49 . . . . 64.52 110.814 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 55' ' ' PHE . 45.2 tp -53.23 -51.26 62.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.248 -0.433 . . . . 64.11 110.52 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 26.1 t30 -51.85 -53.51 39.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 74.13 111.438 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -59.03 -32.24 69.55 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.398 0.518 . . . . 75.11 112.398 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -69.63 -54.32 14.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.032 0.444 . . . . 74.15 110.093 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.543 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.2 mt -63.72 -41.51 92.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.649 -0.705 . . . . 74.12 110.797 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -59.77 -43.87 94.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.974 -0.557 . . . . 70.41 110.425 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.0 -35.3 80.19 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.713 0.292 . . . . 73.55 110.534 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.98 72.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.076 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -69.13 -34.07 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 71.21 110.933 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.434 ' HA ' HG21 ' A' ' 83' ' ' ILE . 12.9 t70 -65.42 -39.11 91.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 60.42 110.374 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.4 t70 -64.02 -47.81 78.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.029 0.442 . . . . 73.14 109.859 174.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.71 -45.75 81.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.623 -0.717 . . . . 73.22 111.686 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.434 HG21 ' HA ' ' A' ' 80' ' ' ASP . 9.4 tt -70.76 -33.06 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.919 -0.312 . . . . 71.43 111.147 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -64.97 -27.58 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.389 . . . . 74.53 110.366 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 55.9 mm-40 -90.88 -6.43 54.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 71.43 110.796 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.67 26.77 70.69 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.422 -0.671 . . . . 73.22 111.422 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -84.6 -32.97 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.157 -0.522 . . . . 74.25 110.268 -175.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.84 164.97 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.216 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.3 pt -101.5 -32.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.838 0.681 . . . . 74.41 112.838 -173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -137.13 173.32 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.983 0.42 . . . . 65.44 111.768 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -112.7 113.84 50.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 74.04 111.115 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' ILE . 96.6 Cg_endo -82.86 8.35 4.65 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.598 2.199 . . . . 73.32 111.016 172.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -79.28 -0.01 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.443 -0.799 . . . . 73.13 111.911 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 36.3 t80 -86.35 155.96 20.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.683 -0.858 . . . . 71.4 108.683 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . 28.4 mmtt 71.46 21.25 4.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 123.639 0.587 . . . . 71.2 109.521 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 56' ' ' LEU . . . -78.07 47.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.436 -0.802 . . . . 55.24 110.12 176.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.02 106.81 3.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.435 -0.802 . . . . 72.52 109.836 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 HG12 ' A' ' 68' ' ' ILE . 59.0 mt -75.45 82.39 2.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.584 -0.734 . . . . 61.54 110.225 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -103.13 102.05 12.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.36 -0.837 . . . . 74.32 110.143 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.33 107.91 19.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.874 -0.603 . . . . 62.14 109.844 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.163 0.506 . . . . 72.13 110.342 178.535 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.4 tt . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.808 -0.441 . . . . 72.4 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -70.65 146.61 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 74.54 109.869 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.533 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 22.5 t80 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.526 0.203 . . . . 73.54 111.235 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.24 74.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.342 . . . . 65.34 111.292 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.444 ' OD2' HD13 ' A' ' 2' ' ' ILE . 29.6 t70 -71.98 -36.18 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.416 -0.356 . . . . 70.43 110.441 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HB2' HG23 ' A' ' 2' ' ' ILE . 81.9 t80 -64.41 -44.2 92.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.781 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.94 -46.28 89.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.725 0.298 . . . . 74.44 110.519 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.25 -46.29 77.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 63.53 110.355 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' O ' HG21 ' A' ' 14' ' ' VAL . 9.2 tt0 -59.58 -46.33 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 70.11 110.383 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.586 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 55.5 t90 -56.46 -51.65 67.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 71.21 110.445 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 15.2 t80 -59.37 -43.76 92.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 74.21 111.212 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.693 ' HG3' HD21 ' A' ' 17' ' ' LEU . 39.4 tt0 -59.58 -36.84 77.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.365 -0.379 . . . . 73.1 111.5 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 10' ' ' GLN . 18.2 t -90.18 -22.05 6.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.026 0.441 . . . . 42.31 111.072 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -102.3 -47.17 4.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.576 0.584 . . . . 72.14 112.576 -166.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 20' ' ' VAL . 73.4 mmtt -120.64 -18.95 7.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.178 0.436 . . . . 74.22 112.178 -171.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.693 HD21 ' HG3' ' A' ' 13' ' ' GLU . 24.4 tp -51.5 -54.93 33.8 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.782 0.66 . . . . 73.24 112.782 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 79.9 Cg_endo -83.87 21.18 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.898 1.732 . . . . 74.02 112.995 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.93 -56.66 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.837 0.31 . . . . 63.33 111.837 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.1 m -71.09 149.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.283 0.563 . . . . 74.51 112.091 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.1 m -67.55 165.95 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.47 -0.786 . . . . 74.32 110.787 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.47 -32.67 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.14 110.436 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -60.16 -32.46 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 62.44 110.523 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.745 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 62.9 m -87.1 -31.78 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 73.24 110.758 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -56.7 -39.01 73.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 74.42 111.019 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -70.29 -27.86 64.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 73.5 111.38 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.745 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 79.4 m-70 -60.14 -51.13 70.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.849 -0.426 . . . . 71.55 109.849 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -63.91 -42.83 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 75.3 110.672 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.599 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -55.03 -49.95 70.28 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.068 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 m -66.75 -38.34 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.857 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.71 92.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 38.0 110.502 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.96 -35.21 74.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.53 -0.759 . . . . 74.4 111.096 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 59.5 mttm -60.46 -46.07 91.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.14 0.495 . . . . 74.14 110.305 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 55' ' ' PHE . 85.4 m-70 -73.12 -34.23 66.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.639 -0.71 . . . . 74.12 111.166 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.86 -44.69 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.898 0.38 . . . . 63.52 110.187 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -63.5 -26.78 68.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 70.34 110.786 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.37 -51.73 27.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 71.4 111.268 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.38 -35.99 18.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.018 0.747 . . . . 74.23 113.018 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.723 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 82.7 m-85 -119.93 84.71 2.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.626 0.727 . . . . 75.14 111.937 -173.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -98.14 114.86 27.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.046 -0.979 . . . . 73.24 110.575 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 63.4 m170 68.9 5.19 4.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.045 0.538 . . . . 75.32 112.07 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 34.7 tttp -81.34 125.65 30.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.786 0.327 . . . . 70.01 110.967 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.55 148.9 40.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.949 -0.568 . . . . 75.32 110.567 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 2.6 pt? -67.13 -28.92 68.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.879 0.371 . . . . 64.02 111.057 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -81.06 -15.88 54.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 75.2 110.097 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -95.39 -3.96 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.422 -0.808 . . . . 74.12 110.027 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.09 118.91 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 64.1 110.811 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.786 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.9 mtpm? -66.66 120.99 14.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.998 -0.741 . . . . 72.04 108.998 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -67.86 -27.18 66.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.113 0.482 . . . . 72.33 110.286 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -33.34 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 71.21 110.44 172.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.786 ' HB2' ' HB2' ' A' ' 48' ' ' LYS . 10.0 tp10 -70.97 -38.45 72.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.208 -0.664 . . . . 75.22 109.208 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -64.13 -43.32 95.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.534 -0.757 . . . . 75.11 110.011 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 73.52 109.821 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.25 -42.53 86.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.213 -0.448 . . . . 73.34 111.089 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.494 ' CE2' HD23 ' A' ' 71' ' ' LEU . 71.2 t80 -56.32 -46.62 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.63 -0.714 . . . . 72.34 110.849 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -42.42 94.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.518 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 94.7 m-20 -60.58 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.686 -0.234 . . . . 71.34 111.14 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -62.26 -36.0 80.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.437 . . . . 75.03 110.325 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -68.87 -42.51 76.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.383 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.2 -11.02 79.25 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 116.101 -0.499 . . . . 74.44 112.995 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -87.9 -14.18 40.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 55.21 110.657 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 p -128.58 9.15 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.225 0.454 . . . . 72.25 112.225 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -147.28 175.18 10.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 74.25 110.482 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.4 t -88.23 169.77 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.44 -0.345 . . . . 74.31 110.606 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HA ' HG21 ' A' ' 68' ' ' ILE . 78.8 t80 -64.32 -42.24 96.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 72.4 111.103 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' CD ' ' HZ3' ' A' ' 70' ' ' LYS . 3.9 mm-40 -61.22 -35.74 78.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 75.42 110.869 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -68.89 -45.5 70.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.045 -0.525 . . . . 72.33 110.73 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.579 HG12 HD21 ' A' ' 98' ' ' LEU . 11.2 tt -73.32 -34.69 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.44 -0.345 . . . . 63.41 111.04 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -68.65 -41.14 79.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.096 -0.335 . . . . 71.13 110.096 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HZ3' ' CD ' ' A' ' 66' ' ' GLU . 13.5 mptt -55.46 -50.58 69.47 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.611 -0.514 . . . . 73.1 109.611 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.494 HD23 ' CE2' ' A' ' 55' ' ' PHE . 42.8 tp -53.79 -56.86 13.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.391 -0.822 . . . . 73.32 111.705 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.456 ' HB2' HD22 ' A' ' 98' ' ' LEU . 54.5 t30 -56.51 -39.53 73.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.792 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -37.71 85.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 75.31 110.995 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -70.47 -50.33 39.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 72.33 110.375 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.533 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 73.9 mt -63.79 -42.96 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.008 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HA ' HG22 ' A' ' 93' ' ' THR . 40.9 ttt-85 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 74.34 110.291 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.519 HD21 ' HZ2' ' A' ' 11' ' ' TRP . 3.2 t30 -66.16 -33.93 76.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.21 110.615 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -46.55 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.065 0.459 . . . . 64.42 110.475 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 54.2 m-85 -74.82 -33.75 62.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 74.32 111.474 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' HA ' HG21 ' A' ' 83' ' ' ILE . 32.0 t70 -66.42 -34.4 77.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.313 -0.403 . . . . 72.32 110.381 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.42 -38.25 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.267 0.556 . . . . 74.33 109.833 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.69 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 62.42 110.771 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' A' ' 80' ' ' ASP . 13.3 tt -63.84 -30.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.166 0.508 . . . . 71.35 110.241 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -57.84 -25.19 60.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.369 -0.832 . . . . 74.11 111.105 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -118.14 -4.22 11.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.795 0.331 . . . . 51.31 111.365 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.5 21.45 47.97 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.75 -0.738 . . . . 65.3 112.137 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.98 -24.23 59.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 64.34 110.086 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.58 143.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.783 . . . . 73.31 108.887 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.52 -31.59 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.754 0.312 . . . . 74.41 111.542 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -138.77 135.1 34.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.655 0.264 . . . . 61.41 110.482 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 m-20 -89.45 127.16 55.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 72.45 110.902 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 7.3 Cg_exo -74.83 8.26 2.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.244 2.629 . . . . 75.33 112.633 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 76' ' ' ARG . 7.1 p -81.85 5.92 17.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 73.1 110.686 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -76.24 141.1 41.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 74.41 110.457 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 tptp 72.83 4.04 4.86 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.328 0.651 . . . . 64.13 111.393 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.94 145.34 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 61.24 111.197 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -138.7 155.81 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 63.22 110.21 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.579 HD21 HG12 ' A' ' 68' ' ' ILE . 85.7 mt -114.88 96.48 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.581 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -121.5 94.88 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 75.22 111.024 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.76 87.36 5.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.26 -0.645 . . . . 72.42 109.26 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 70.32 111.598 -172.864 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.471 HD13 ' OD2' ' A' ' 6' ' ' ASP . 14.7 tt . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.504 0.192 . . . . 75.44 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 23.0 p -76.56 149.59 36.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.063 -0.347 . . . . 74.4 110.063 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.617 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 24.9 t80 -66.46 -38.85 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.691 -0.232 . . . . 74.54 111.255 -175.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 63.52 111.062 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.471 ' OD2' HD13 ' A' ' 2' ' ' ILE . 38.2 t70 -68.95 -40.23 79.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 55.13 110.622 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -59.92 -46.31 89.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.956 -0.565 . . . . 73.2 110.511 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.59 -44.58 96.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.506 . . . . 74.01 110.975 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.91 -45.3 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 72.05 111.002 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.03 -46.23 85.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.206 0.527 . . . . 73.41 110.035 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -55.19 -47.67 74.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.205 -0.907 . . . . 73.43 110.683 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.514 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 5.4 t80 -65.38 -50.34 65.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 64.35 111.905 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.77 -24.75 67.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.336 0.495 . . . . 73.15 112.336 -171.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.72 -23.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.819 0.303 . . . . 64.51 111.819 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -111.81 -31.37 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.468 0.914 . . . . 43.41 113.468 -169.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.1 mptp? -113.39 -16.77 12.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.452 -0.499 . . . . 72.24 112.308 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.702 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.3 tp -50.49 -59.02 8.06 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.059 0.762 . . . . 75.51 113.059 -171.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 87.5 Cg_endo -86.05 15.82 2.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.143 1.895 . . . . 51.33 113.367 -174.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -123.41 -51.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.791 -0.364 . . . . 73.42 111.805 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 25.3 m -79.53 151.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 74.33 111.682 -173.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 36.9 m -73.54 171.3 13.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 73.02 110.68 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -65.29 -25.38 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 71.34 111.398 -178.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 p -62.66 -42.64 99.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 73.14 110.0 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.637 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.4 m -73.32 -31.7 64.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.768 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 28.7 mmtm -56.58 -45.21 81.48 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 109.139 -0.689 . . . . 73.35 109.139 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -57.25 -43.68 83.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.177 -0.92 . . . . 74.34 110.911 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -57.85 -53.31 59.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.351 -0.386 . . . . 74.3 111.124 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -64.26 -41.12 97.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.708 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.44 -42.68 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.902 -0.319 . . . . 55.14 110.81 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 64.23 110.497 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.72 67.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.954 0.407 . . . . 42.43 110.499 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.57 -43.19 84.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 72.53 112.018 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -71.03 -32.5 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.849 -0.34 . . . . 50.2 111.673 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -74.86 -36.12 62.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.893 -0.323 . . . . 72.42 110.683 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' A' ' 39' ' ' PHE . 77.6 mt -62.43 -50.9 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 62.51 110.144 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -63.75 -27.78 69.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 72.41 110.632 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.755 -0.657 . . . . 75.54 111.174 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -86.79 -54.94 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.025 0.44 . . . . 75.34 111.514 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.481 ' HD2' HG23 ' A' ' 35' ' ' ILE . 45.9 m-85 -88.67 63.84 7.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.555 0.693 . . . . 75.44 111.106 -171.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -69.18 111.8 5.36 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.03 -0.986 . . . . 74.12 110.394 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.3 m170 64.85 25.16 12.83 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.93 -0.577 . . . . 75.14 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 132.25 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.856 0.36 . . . . 60.45 110.616 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.67 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 15.5 mt -74.91 156.19 36.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.387 -0.597 . . . . 60.4 109.387 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.7 pt? -64.59 -32.78 74.58 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.09 -0.244 . . . . 73.35 111.64 -176.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.753 ' HB3' HG21 ' A' ' 88' ' ' VAL . 15.5 ptmt -93.27 -1.85 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 72.21 110.596 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.582 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 36.3 t70 -92.41 -6.54 49.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.63 0.728 . . . . 61.25 109.391 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -67.59 98.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.003 -0.999 . . . . 73.4 109.575 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' GLU . 48.1 tttp -59.72 138.58 57.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.236 -0.653 . . . . 73.4 109.236 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.804 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -60.28 -42.72 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 73.34 110.653 -176.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -70.69 -27.87 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.915 -0.584 . . . . 74.24 110.934 178.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 10.4 tp10 -70.61 -38.12 73.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 70.55 109.759 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' HE1' HD11 ' A' ' 75' ' ' ILE . 58.4 t80 -65.18 -37.3 86.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.53 -0.759 . . . . 74.23 109.912 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HB3' ' O ' ' A' ' 50' ' ' THR . 5.1 tp-100 -54.75 -57.23 12.35 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.651 -0.704 . . . . 62.24 110.02 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -51.4 -39.8 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.697 -0.683 . . . . 75.54 111.639 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CE2' HD23 ' A' ' 71' ' ' LEU . 64.3 t80 -60.96 -51.49 69.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.386 -0.37 . . . . 70.32 110.634 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' A' ' 68' ' ' ILE . 93.4 mt -65.99 -38.13 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.374 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.533 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.8 t-20 -53.97 -53.46 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.649 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.92 -40.35 91.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.06 -0.518 . . . . 71.14 110.881 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.35 -39.01 88.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.513 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.21 -15.6 81.32 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 116.128 -0.487 . . . . 55.15 112.687 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 79.0 mt -84.6 -13.26 52.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.697 0.284 . . . . 75.23 110.553 176.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 p -121.41 -0.47 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.106 0.41 . . . . 74.04 112.106 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -143.09 168.69 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.567 0.222 . . . . 61.15 110.616 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -82.29 172.81 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.361 -0.381 . . . . 65.32 111.19 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.482 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 65.2 t80 -61.27 -47.5 85.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 74.23 111.724 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 69' ' ' ARG . 9.7 mm-40 -60.05 -33.88 72.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.737 0.273 . . . . 75.12 111.737 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -48.36 69.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 73.13 110.677 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.6 HD13 ' HB3' ' A' ' 56' ' ' LEU . 11.7 tt -72.61 -34.05 46.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.242 -0.436 . . . . 75.11 110.384 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 71.4 ttt180 -60.99 -50.36 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 75.34 110.357 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.26 -47.66 82.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 73.52 110.725 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 ' CE2' ' A' ' 55' ' ' PHE . 32.9 tp -53.17 -54.7 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 74.5 111.105 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 26.5 t-20 -62.64 -33.49 75.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 74.01 111.197 -178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -61.21 -47.92 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.439 -0.346 . . . . 73.24 111.032 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.76 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.97 0.415 . . . . 73.33 110.097 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.41 HD11 ' HE1' ' A' ' 52' ' ' TYR . 83.4 mt -62.94 -42.07 95.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.477 -0.783 . . . . 63.33 111.017 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 64.3 mtt180 -59.45 -48.52 81.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.849 0.357 . . . . 71.14 110.438 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.68 -36.1 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.858 -0.61 . . . . 54.11 110.924 -175.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.85 97.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.429 . . . . 74.13 110.507 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.04 -30.37 62.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 75.41 111.217 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' HG21 ' A' ' 83' ' ' ILE . 38.3 m-20 -56.39 -44.32 80.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 74.42 110.403 174.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -68.89 -35.21 76.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.423 -0.353 . . . . 72.15 110.742 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.18 75.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 74.34 111.243 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.455 HG21 ' O ' ' A' ' 80' ' ' ASP . 13.6 tt -67.81 -28.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 70.31 111.231 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -54.88 -32.04 60.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.728 0.299 . . . . 74.5 110.374 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.62 -32.54 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.403 0.621 . . . . 73.24 109.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.08 25.83 5.72 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.48 -0.782 . . . . 74.32 111.714 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.464 ' CE1' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -59.81 -55.37 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.299 0.571 . . . . 73.41 109.77 179.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 45' ' ' LYS . 39.4 t -120.5 122.77 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.757 -0.656 . . . . 65.14 109.296 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.1 tt -78.6 -32.54 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.447 . . . . 75.11 111.371 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -125.16 102.57 7.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.858 -0.423 . . . . 71.02 109.858 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.92 143.63 87.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 73.43 110.946 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.3 -9.45 15.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.299 2.666 . . . . 75.15 113.033 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 p -75.74 77.84 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.24 0.543 . . . . 74.43 110.686 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.804 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 55.1 t80 -87.48 -78.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 73.35 109.678 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -112.8 84.7 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.634 0.731 . . . . 71.42 109.602 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.42 94.26 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.114 -0.948 . . . . 55.42 110.148 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -100.01 108.91 21.22 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.46 -0.791 . . . . 73.25 110.46 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.51 43.3 0.96 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.587 -0.733 . . . . 63.02 109.951 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -85.2 81.95 8.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.021 -0.991 . . . . 75.33 110.541 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 107.86 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.605 . . . . 73.13 110.591 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 70.03 111.95 -177.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.12 -0.326 . . . . 75.23 110.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.1 p -77.36 152.86 34.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.308 -0.256 . . . . 72.55 110.308 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HZ ' HG22 ' A' ' 75' ' ' ILE . 17.5 t80 -63.83 -44.14 94.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.346 -0.388 . . . . 75.32 110.812 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.43 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 72.2 111.288 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.48 -39.29 77.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 71.22 110.914 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.8 -42.29 99.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 73.23 110.785 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.24 -44.74 88.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 74.31 110.394 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.04 -42.88 72.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.695 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.03 0.443 . . . . 72.21 110.114 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.57 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 73.0 t90 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.863 . . . . 74.13 110.571 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.561 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 34.0 t80 -60.44 -50.76 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.479 -0.328 . . . . 73.34 111.213 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.78 -34.67 54.35 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.95 0.781 . . . . 74.35 111.802 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.3 t -92.27 -33.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 70.2 111.786 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -98.7 -54.35 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.164 0.802 . . . . 72.43 113.164 -163.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.9 mmtt -104.79 -11.59 16.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.088 0.403 . . . . 73.2 112.088 -168.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.636 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 13.0 tp -49.61 -56.61 15.73 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 112.723 0.638 . . . . 74.45 112.723 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.636 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 98.9 Cg_endo -82.95 12.81 2.82 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.982 1.788 . . . . 75.32 113.63 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -120.46 -23.62 6.07 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.624 -0.431 . . . . 74.12 111.727 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.641 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 26.1 m -98.8 158.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.394 . . . . 75.33 111.46 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 p -86.05 173.4 9.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 73.54 110.629 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -62.76 -36.61 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 63.43 111.358 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -61.8 -36.81 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.055 0.455 . . . . 71.33 110.113 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.641 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -71.35 -34.56 70.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 61.02 110.05 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.648 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 3.6 mmmm -55.33 -46.76 76.33 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.432 -0.581 . . . . 70.23 109.432 173.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 26' ' ' ARG . 15.5 mmm-85 -58.42 -41.8 85.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.593 -0.73 . . . . 72.42 111.335 178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -62.15 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 73.3 111.119 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 37.0 m-85 -65.18 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.552 -0.294 . . . . 72.31 111.006 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 46.8 mt-10 -56.42 -54.27 47.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.783 -0.451 . . . . 62.02 109.783 172.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.1 t -54.79 -48.2 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.412 -0.813 . . . . 71.14 110.287 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -56.02 26.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 63.13 111.001 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -57.19 -44.81 83.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 63.22 111.826 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 51.4 mtpt -69.28 -37.4 77.83 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.648 0.261 . . . . 74.32 111.407 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -74.04 -34.83 64.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 119.961 -0.696 . . . . 72.44 110.352 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.61 -51.06 76.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.014 -0.539 . . . . 74.01 110.784 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 14.2 ptmm? -64.53 -26.24 68.34 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.597 0.237 . . . . 64.24 110.945 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.3 -49.94 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 72.23 111.324 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -76.63 -33.49 58.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 72.13 110.89 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 42' ' ' LYS . 60.0 m-85 -121.31 92.41 3.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.382 -0.599 . . . . 74.32 109.382 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 26.2 mmt180 -72.8 -54.08 9.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.671 -0.695 . . . . 64.03 111.748 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -130.07 23.41 5.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.377 0.608 . . . . 61.25 110.221 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 39' ' ' PHE . 5.4 tptp -66.32 129.29 39.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.211 -0.904 . . . . 73.14 109.675 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 86.5 mt -70.87 159.09 35.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.748 0.308 . . . . 65.4 110.557 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 HD22 ' HD1' ' A' ' 4' ' ' PHE . 3.1 tm? -58.45 -35.7 72.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.853 -0.612 . . . . 64.12 110.38 -177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 7.43 46.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 75.44 111.379 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 26.0 t70 -100.27 -0.61 38.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.873 0.368 . . . . 60.13 110.744 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 26.2 mm -75.01 115.2 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 72.01 109.791 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 93.4 mttt -86.65 173.38 9.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.854 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.779 ' HG3' ' HB3' ' A' ' 94' ' ' TYR . 0.6 OUTLIER -69.16 -49.19 58.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.631 . . . . 74.44 110.944 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 p -71.0 -32.28 69.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.075 -0.511 . . . . 63.44 111.738 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 75.2 mt-10 -63.72 -47.33 81.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.573 -0.529 . . . . 75.14 109.573 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.701 ' HE1' HG21 ' A' ' 75' ' ' ILE . 46.3 t80 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.028 -0.987 . . . . 75.24 110.226 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 74.52 110.709 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -39.52 94.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.406 -0.361 . . . . 73.41 110.53 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD22 ' A' ' 71' ' ' LEU . 63.9 t80 -59.13 -46.96 86.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 73.42 110.604 177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.25 -43.73 93.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.715 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.597 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-20 -59.74 -46.06 90.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 61.21 111.322 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.73 -24.05 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 74.45 111.109 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -77.28 -39.13 49.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.915 0.388 . . . . 73.44 110.16 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.75 3.33 64.61 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.807 -0.633 . . . . 74.14 112.897 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 101' ' ' SER . 94.6 mt -86.17 -17.8 33.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 75.12 110.421 176.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -129.17 7.25 5.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.359 . . . . 54.44 111.695 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.23 151.77 49.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.523 -0.308 . . . . 74.21 111.148 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -73.46 168.27 19.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.872 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.611 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 67.6 t80 -63.74 -44.41 93.61 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.347 0.499 . . . . 74.41 112.347 -172.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.345 -0.542 . . . . 75.22 111.142 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 m -66.12 -43.07 88.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.55 -0.296 . . . . 73.03 111.044 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG12 HD21 ' A' ' 98' ' ' LEU . 12.7 tt -69.78 -32.89 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 110.05 -0.352 . . . . 73.23 110.05 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.611 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 13.5 mtp180 -57.26 -48.96 77.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.457 -0.338 . . . . 73.24 110.844 174.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -55.01 -48.37 73.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.328 -0.397 . . . . 74.52 110.397 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD22 ' CE2' ' A' ' 55' ' ' PHE . 34.6 tp -52.74 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 74.24 111.45 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -57.65 -38.85 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 44.11 110.888 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -60.89 -41.64 96.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.697 -0.683 . . . . 75.43 111.317 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.72 -48.82 65.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 70.52 110.614 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.701 HG21 ' HE1' ' A' ' 52' ' ' TYR . 61.5 mt -63.47 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.705 -0.68 . . . . 73.31 111.037 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.22 -36.01 80.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.807 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.49 -37.99 68.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 75.32 110.553 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.5 85.91 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.35 0.595 . . . . 64.4 110.545 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.61 -31.09 72.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.932 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HA ' HG21 ' A' ' 83' ' ' ILE . 17.8 t70 -62.21 -46.01 90.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 63.24 110.847 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -40.68 88.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.103 0.478 . . . . 73.43 110.346 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 87' ' ' TYR . . . -67.17 -51.23 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 62.45 111.777 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.475 HG21 ' HA ' ' A' ' 80' ' ' ASP . 13.1 tt -66.44 -32.42 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 75.14 111.582 -174.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -65.79 -14.17 60.87 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.713 0.264 . . . . 65.03 111.713 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -112.5 -33.78 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 74.03 110.569 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.2 6.38 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.182 -0.767 . . . . 64.12 111.182 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.497 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . 38.9 t80 -71.1 -30.47 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.246 -0.477 . . . . 71.35 110.439 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.05 156.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.767 -0.651 . . . . 53.45 110.413 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.0 mm -79.33 -61.73 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.106 0.479 . . . . 71.4 110.718 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -146.09 134.75 22.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 65.42 110.299 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.02 141.77 71.65 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 72.21 111.003 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.68 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 83.5 Cg_endo -86.56 4.37 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.912 2.408 . . . . 74.42 112.388 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 p -75.82 8.67 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.008 -0.542 . . . . 73.41 112.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.779 ' HB3' ' HG3' ' A' ' 49' ' ' ARG . 91.6 t80 -61.54 -55.96 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.05 0.452 . . . . 75.32 109.821 175.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.86 77.1 4.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.273 0.558 . . . . 61.23 109.963 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.21 33.55 3.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.287 -0.87 . . . . 37.23 110.149 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.6 114.49 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.783 -0.644 . . . . 73.13 110.277 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.484 HD12 ' HG2' ' A' ' 69' ' ' ARG . 76.4 mt -79.39 96.08 5.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.663 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -101.57 90.77 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 73.04 111.0 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.43 93.26 8.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.525 . . . . 44.34 109.793 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.635 ' HB3' HD21 ' A' ' 61' ' ' LEU . 24.8 t . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.59 . . . . 74.31 111.409 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tp . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.054 0.455 . . . . 64.43 111.278 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -74.17 147.05 42.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.571 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -60.11 -45.98 91.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.121 -0.49 . . . . 74.33 111.729 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.039 0.447 . . . . 52.03 111.403 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.97 -46.21 88.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.881 -0.6 . . . . 74.24 111.525 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -64.45 -38.43 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 63.14 110.545 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.07 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.772 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.95 -42.46 73.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.868 -0.333 . . . . 64.15 110.402 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 14' ' ' VAL . 28.2 tt0 -62.12 -40.06 94.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 74.35 110.163 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 56.7 t90 -58.04 -50.25 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 73.42 110.108 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.47 -42.25 91.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.44 111.094 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG3' HD23 ' A' ' 17' ' ' LEU . 42.6 tt0 -59.5 -37.1 77.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 75.31 111.483 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 10' ' ' GLN . 28.0 t -90.66 -19.41 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.491 . . . . 74.42 111.228 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.612 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -101.84 -60.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -168.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 20' ' ' VAL . 72.3 mmtt -106.83 -19.97 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.885 0.328 . . . . 73.34 111.885 -169.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.665 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 35.0 tp -46.66 -56.0 12.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 113.315 0.858 . . . . 72.04 113.315 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 85.9 Cg_endo -88.66 17.91 1.58 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.82 1.68 . . . . 73.32 113.725 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.1 -31.89 2.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.422 0.527 . . . . 71.14 112.422 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.704 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.0 m -91.11 160.06 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.5 . . . . 73.03 111.782 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 13.5 p -87.82 171.33 10.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 74.34 110.306 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.52 -36.81 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.103 0.409 . . . . 74.42 112.103 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -60.27 -51.19 70.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 65.01 110.594 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.704 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 12.4 m -66.58 -37.3 84.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.991 -0.549 . . . . 74.52 110.621 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.796 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 9.4 mtpm? -57.31 -51.56 68.87 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.302 -0.408 . . . . 73.43 110.453 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 mtm180 -63.31 -28.83 70.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 74.13 111.629 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -61.24 -52.33 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.901 -0.32 . . . . 73.15 110.294 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -62.67 -45.62 91.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.213 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 46.3 mt-10 -64.06 -42.72 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.637 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.567 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 26.3 m -68.17 -37.94 81.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 62.53 110.506 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.2 93.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.148 0.499 . . . . 62.34 109.707 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.22 -32.93 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.223 -0.899 . . . . 75.22 110.915 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 40.8 mmtm -62.92 -47.12 84.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.0 0.429 . . . . 75.21 110.254 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.416 ' CD2' ' HE1' ' A' ' 59' ' ' TYR . 96.3 m-70 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 65.54 110.391 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -67.78 -39.57 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 73.44 110.037 175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.7 tppt? -59.71 -30.03 68.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.503 -0.772 . . . . 73.12 111.075 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.56 -42.5 16.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 70.22 111.861 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -86.73 -54.79 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.901 0.334 . . . . 72.42 111.901 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 71.5 m-85 -96.87 58.32 1.61 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.146 0.498 . . . . 75.21 110.442 -175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 85.9 mtt180 -64.82 -57.49 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 74.53 111.353 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -113.04 23.15 13.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.198 0.523 . . . . 74.21 110.47 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.617 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 37.8 tptt -83.98 120.47 26.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.666 -0.697 . . . . 74.55 109.87 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 88.0 mt -70.24 151.89 44.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 73.55 111.033 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.61 -35.74 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.652 . . . . 72.43 110.9 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -81.7 -10.08 59.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.631 . . . . 73.53 111.579 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 4.2 t70 -99.05 7.58 45.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.538 . . . . 71.21 110.646 -172.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -80.02 97.39 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.378 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 9.0 mptt -84.13 160.48 20.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.688 -0.486 . . . . 75.04 109.688 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.888 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 97.8 mtt180 -61.96 -38.81 89.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.109 -0.496 . . . . 73.14 111.16 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -69.19 -40.79 77.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 74.33 111.309 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 5.4 mm-40 -59.6 -48.96 79.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.639 0.733 . . . . 73.32 109.686 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -62.99 -39.61 95.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.583 -1.19 . . . . 75.12 110.81 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.94 -42.05 85.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.403 . . . . 72.42 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.05 -37.32 71.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.989 0.424 . . . . 74.23 110.907 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' CE2' HD23 ' A' ' 71' ' ' LEU . 76.1 t80 -64.7 -43.5 93.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 73.53 110.403 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' A' ' 68' ' ' ILE . 92.6 mt -68.56 -37.19 79.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 72.03 111.283 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.578 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.9 m-20 -55.22 -48.81 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 73.42 110.032 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.8 -40.02 93.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.52 0.676 . . . . 71.12 110.512 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.42 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 20.0 t80 -71.62 -36.22 70.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.773 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.88 -7.91 87.37 Favored Glycine 0 CA--C 1.517 0.163 0 C-N-CA 121.386 -0.435 . . . . 71.25 112.575 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.8 mt -90.15 -10.9 42.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 74.31 110.715 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.7 p -119.33 -38.21 3.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.49 . . . . 72.22 112.09 -176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -108.91 170.86 7.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 74.33 111.385 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -84.49 -179.95 7.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.756 -0.656 . . . . 74.31 111.054 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.483 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 91.1 t80 -68.36 -47.34 67.69 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 20.1 tt0 -64.91 -36.33 84.03 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.096 -0.642 . . . . 75.13 110.375 -175.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -61.17 -48.32 82.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 75.01 110.755 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 56' ' ' LEU . 12.1 tt -72.74 -34.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 72.22 110.444 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 31.6 ttt-85 -60.34 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.694 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 22.3 mtpt -69.83 -36.72 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.913 -0.585 . . . . 75.52 110.844 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 55' ' ' PHE . 27.9 tp -54.34 -53.92 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.089 0.471 . . . . 62.34 110.122 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -58.43 -36.91 74.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.27 -0.877 . . . . 70.33 111.033 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -63.92 -47.48 80.39 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.517 -0.31 . . . . 64.21 110.463 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.77 -48.85 78.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.063 0.459 . . . . 75.34 110.21 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.77 -40.89 90.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 71.4 110.447 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 76' ' ' ARG . 20.7 ttp85 -57.49 -48.26 79.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.814 -0.63 . . . . 74.43 110.826 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.39 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 62.34 110.834 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.86 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 75.34 111.168 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.11 -38.53 82.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 72.41 110.708 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.504 ' HA ' HG21 ' A' ' 83' ' ' ILE . 15.6 t70 -64.39 -37.69 88.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.965 -0.561 . . . . 71.15 110.016 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 14.1 t70 -59.48 -54.39 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 71.12 110.071 173.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -57.54 -50.15 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.524 -0.762 . . . . 53.12 111.574 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' A' ' 80' ' ' ASP . 11.5 tt -65.59 -35.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 60.01 111.114 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -67.09 -29.36 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.293 0.568 . . . . 73.34 110.296 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 29.5 mm-40 -94.66 -1.96 52.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.797 -0.638 . . . . 72.24 110.675 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.63 21.56 63.78 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 63.1 112.4 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.5 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 2.4 t80 -73.68 -50.97 18.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.248 0.547 . . . . 75.11 109.619 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.0 -174.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.534 -0.757 . . . . 73.14 110.398 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 89' ' ' ILE . 10.9 tp -138.01 19.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.036 0.922 . . . . 74.12 108.919 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -94.97 120.73 35.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.149 -0.932 . . . . 75.21 111.13 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -123.1 90.68 50.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 121.099 0.476 . . . . 65.1 110.358 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.888 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 91.6 Cg_endo -87.3 -3.67 7.74 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.816 2.344 . . . . 74.34 112.46 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 p -74.71 -15.11 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.979 0.733 . . . . 72.42 112.979 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.99 -53.8 53.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.827 0.346 . . . . 71.5 111.303 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 95' ' ' LYS . 41.2 tptt -87.58 9.6 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.2 0.524 . . . . 54.54 110.707 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.41 94.6 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.634 -0.712 . . . . 72.22 110.325 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.9 119.38 32.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.408 0.623 . . . . 64.45 109.962 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 69' ' ' ARG . 47.6 mt -81.13 76.27 8.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.462 -0.79 . . . . 75.34 110.734 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -96.73 103.49 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.0 -0.545 . . . . 74.53 110.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.21 10.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 64.35 110.026 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.737 -0.665 . . . . 75.01 110.42 -178.433 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 121.219 0.533 . . . . 73.43 111.378 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.94 147.9 46.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.584 -0.734 . . . . 74.1 110.724 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -59.91 -40.21 88.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.51 110.946 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.21 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 63.44 111.378 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.96 -29.65 68.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.956 -0.566 . . . . 64.43 111.184 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -70.4 -43.19 70.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.587 -0.279 . . . . 74.12 110.351 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.57 -50.59 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 72.21 110.699 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . 50.9 t80 -66.73 -42.06 86.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 72.24 110.745 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 14' ' ' VAL . 51.9 tt0 -59.55 -52.77 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 72.32 110.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -54.27 -45.32 72.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.65 -0.704 . . . . 73.13 111.006 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' HH ' ' HA ' ' A' ' 25' ' ' LYS . 25.8 t80 -64.34 -50.93 65.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.001 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 11.2 tm-20 -59.23 -34.45 72.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.941 -0.572 . . . . 74.31 110.922 -175.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 10' ' ' GLN . 94.2 t -78.21 -34.93 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.474 -0.33 . . . . 70.51 111.799 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.409 ' O ' ' HD2' ' A' ' 19' ' ' HIS . 29.2 m-20 -111.12 -68.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.137 0.791 . . . . 73.3 113.137 -169.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 60.2 mmtt -79.17 -18.51 52.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.647 0.24 . . . . 50.41 111.647 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.729 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 30.5 tp -43.14 -59.64 3.0 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.871 1.063 . . . . 75.1 113.871 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.4 Cg_endo -78.88 -16.67 12.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.008 1.805 . . . . 61.31 113.319 -172.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 15' ' ' ASN . 88.4 m-70 -92.53 -30.38 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.587 -0.278 . . . . 75.21 111.397 -171.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 34.1 m -79.89 158.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.939 0.4 . . . . 74.12 111.498 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.529 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 6.2 t -77.03 172.77 12.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.624 . . . . 74.3 110.104 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.67 -46.53 85.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 72.04 109.932 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 p -60.96 -46.08 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 72.25 110.732 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.465 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 21.1 m -56.92 -39.59 74.75 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.333 -0.394 . . . . 64.5 110.922 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.0 mtpm? -52.95 -54.17 38.89 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.154 0.502 . . . . 74.15 110.398 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 19.8 mmt180 -66.09 -27.03 67.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.131 -0.94 . . . . 75.3 111.215 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -59.14 -43.91 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.893 -0.41 . . . . 64.32 109.893 170.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -66.4 -44.19 83.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 75.11 110.766 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -55.33 -45.49 76.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.933 0.397 . . . . 70.31 111.034 175.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -65.69 -39.45 91.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.644 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.75 73.77 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.063 -0.517 . . . . 74.04 110.096 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 33.4 t80 -55.23 -44.96 75.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 73.2 112.18 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -68.41 -38.93 81.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.942 -0.303 . . . . 64.55 110.984 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -68.95 -40.3 79.02 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.81 0.338 . . . . 74.32 110.556 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.32 -46.66 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.237 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.22 -42.77 95.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 74.42 111.525 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.25 -35.7 81.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 73.23 111.629 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.61 -53.87 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.135 0.493 . . . . 72.55 111.584 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.747 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 69.7 m-85 -96.6 51.22 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 71.21 110.194 -175.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -51.23 -45.41 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.399 -0.819 . . . . 73.24 112.625 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -130.65 35.79 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.13 0.49 . . . . 75.1 110.642 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 1.3 tpmt? -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.926 -0.579 . . . . 73.15 109.766 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -71.71 156.67 39.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.394 -0.366 . . . . 65.34 111.152 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.29 -47.46 75.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.679 -0.691 . . . . 73.22 111.58 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.785 ' HA ' HG22 ' A' ' 88' ' ' VAL . 15.0 pttp -87.17 1.11 54.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.02 -0.536 . . . . 63.04 111.338 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.82 9.29 37.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.451 0.643 . . . . 74.11 110.403 -174.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 42' ' ' LYS . 50.4 mm -69.18 124.28 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.411 -0.813 . . . . 61.51 110.479 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.939 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 20.4 mtpp -95.16 144.36 25.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.378 -0.601 . . . . 70.31 109.378 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -60.26 -34.84 74.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 72.22 111.774 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -70.43 -40.96 73.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.681 0.277 . . . . 65.34 111.401 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.939 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 3.0 mm-40 -63.04 -41.15 99.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.543 0.687 . . . . 71.05 109.484 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HE1' HD11 ' A' ' 75' ' ' ILE . 69.6 t80 -66.84 -35.86 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.44 110.39 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -61.83 -49.59 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 75.44 110.071 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -67.18 -30.9 70.98 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.805 0.336 . . . . 70.51 110.839 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.93 -47.51 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.011 -0.54 . . . . 73.51 110.195 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 68' ' ' ILE . 94.1 mt -65.31 -35.92 82.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 73.13 110.93 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.508 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -64.14 -37.63 88.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.215 -177.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.19 -39.58 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.538 . . . . 75.22 110.451 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 22.4 t80 -66.45 -34.19 77.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 75.04 110.198 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.63 84.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.125 -0.56 . . . . 70.42 112.716 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.1 mt -91.37 -21.53 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 75.31 110.679 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -105.42 -28.68 10.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.948 -0.569 . . . . 52.31 111.851 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -126.4 166.01 17.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.094 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -72.02 163.14 28.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.362 -0.381 . . . . 74.42 110.578 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 83.8 t80 -60.78 -33.86 73.62 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.07 -0.514 . . . . 74.25 111.143 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.03 -38.67 86.31 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.612 -0.435 . . . . 65.33 110.179 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -64.64 -49.87 69.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.792 -0.64 . . . . 74.5 110.609 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.1 tt -65.75 -33.72 65.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.462 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 6.9 ttm180 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.097 0.475 . . . . 73.24 110.174 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -69.69 -37.66 76.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.833 -0.621 . . . . 73.41 111.093 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 tp -52.27 -54.93 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.319 0.581 . . . . 74.23 109.873 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.605 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 14.9 t-20 -57.98 -37.35 74.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.046 -0.979 . . . . 75.42 111.247 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 t -63.02 -42.67 99.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.716 0.293 . . . . 71.14 111.095 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.9 -45.12 90.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.346 0.593 . . . . 74.54 109.875 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.48 HD11 ' HE1' ' A' ' 52' ' ' TYR . 78.2 mt -63.25 -34.71 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.176 -0.92 . . . . 74.44 111.056 -178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 52.5 mtt180 -60.7 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.678 -0.237 . . . . 73.34 110.48 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -68.19 -33.91 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 71.34 110.645 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.71 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 72.23 110.584 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -65.25 -38.54 90.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 74.23 110.908 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.419 ' HA ' HG21 ' A' ' 83' ' ' ILE . 8.5 t70 -64.33 -40.38 95.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.094 0.473 . . . . 64.14 110.834 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -43.71 92.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.003 -0.544 . . . . 73.35 109.875 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.54 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 64.12 112.071 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 HG21 ' HA ' ' A' ' 80' ' ' ASP . 14.8 tt -65.86 -31.81 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.758 0.313 . . . . 74.44 110.867 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -64.98 -21.65 66.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.118 0.485 . . . . 64.13 110.167 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.45 -10.17 33.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 75.41 111.052 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.26 21.37 75.76 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 110.992 -0.843 . . . . 55.54 110.992 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -84.42 -24.95 29.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.991 -0.605 . . . . 75.23 109.932 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 45' ' ' LYS . 9.9 p -134.21 164.03 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.594 -0.73 . . . . 62.23 109.288 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 pt -90.22 -167.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.97 0.414 . . . . 52.54 111.369 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -51.97 144.58 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.196 -0.911 . . . . 72.22 111.303 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 22.0 t-20 -73.8 120.94 83.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.214 -0.903 . . . . 73.05 112.192 -167.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 36.4 Cg_endo -65.84 -15.24 48.21 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.362 2.708 . . . . 62.21 111.905 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -67.84 -4.1 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.718 0.771 . . . . 74.43 110.506 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -54.88 -36.15 64.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.444 -0.798 . . . . 74.52 111.208 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.783 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -106.88 26.63 9.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 62.01 110.185 -176.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.89 107.62 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 45.01 111.85 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 50.7 mt-10 -103.09 114.79 29.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 73.13 110.416 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 56' ' ' LEU . 75.5 mt -88.61 93.06 9.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.759 -0.46 . . . . 72.2 109.759 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 97' ' ' GLU . 61.0 m-70 -99.45 82.66 2.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 73.34 110.864 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.28 102.88 15.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 74.33 109.196 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.408 -176.018 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.6 HG22 ' HH ' ' A' ' 87' ' ' TYR . 13.9 tt . . . . . 0 C--O 1.236 0.388 0 N-CA-C 108.876 -0.786 . . . . 73.12 108.876 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 p -67.85 143.61 55.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.867 0.365 . . . . 73.13 110.774 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.531 ' HZ ' HG22 ' A' ' 75' ' ' ILE . 25.8 t80 -62.6 -36.71 83.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.51 111.088 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.49 -0.323 . . . . 44.42 111.375 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.37 -44.8 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 60.54 110.492 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.68 -43.62 89.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.866 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.89 -49.0 79.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 70.55 111.016 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -65.78 -45.34 82.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.413 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' HG22 ' A' ' 14' ' ' VAL . 28.3 tt0 -59.94 -43.9 94.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 55.01 110.457 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -56.73 -48.26 78.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 73.32 110.74 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.432 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.0 t80 -61.5 -45.81 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.956 176.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.72 ' HG3' HD23 ' A' ' 17' ' ' LEU . 43.1 tt0 -61.49 -39.1 89.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 75.42 111.526 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 10' ' ' GLN . 98.6 t -75.53 -22.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.717 0.294 . . . . 72.54 111.565 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 39.6 m-80 -110.97 -73.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.727 0.64 . . . . 71.41 112.727 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 4.1 mptp? -84.94 -13.27 51.25 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.777 0.658 . . . . 74.21 112.777 -167.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 ' HG3' ' A' ' 13' ' ' GLU . 38.7 tp -49.95 -58.34 9.74 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.31 0.856 . . . . 62.23 113.31 -171.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.9 Cg_endo -82.93 18.79 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 121.996 1.797 . . . . 45.23 113.277 -174.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -124.08 -43.05 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.777 0.322 . . . . 73.11 111.154 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.721 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 29.4 m -82.44 147.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.05 0.452 . . . . 62.05 111.606 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 23.9 m -77.48 171.37 15.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 74.12 110.439 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -34.54 69.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.484 -0.325 . . . . 65.42 111.317 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 p -59.0 -45.83 89.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.432 -0.349 . . . . 74.14 110.758 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.721 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 13.4 m -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 74.24 110.502 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' SER . 51.1 mtpt -58.95 -41.49 87.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 75.31 110.718 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 30.2 mmm180 -65.1 -30.06 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 73.42 111.448 -178.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -64.87 -45.78 84.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 75.44 110.035 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.28 -41.18 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.978 -0.556 . . . . 73.24 111.229 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 37.0 mt-10 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.095 -0.242 . . . . 73.31 110.658 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.867 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 32.5 t -62.54 -45.78 91.41 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.664 -0.495 . . . . 72.35 109.664 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.69 89.88 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.663 -0.699 . . . . 73.13 110.292 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -58.37 -44.39 88.83 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.779 -0.646 . . . . 75.34 111.175 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.867 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 48.6 mtmt -53.71 -51.6 62.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.863 0.363 . . . . 74.23 111.538 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.65 -35.0 79.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.244 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.46 -40.62 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.252 0.549 . . . . 64.11 109.871 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.598 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 48.7 tttp -61.84 -26.24 68.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.214 -0.903 . . . . 71.14 110.894 175.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.38 -47.57 13.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.448 -0.342 . . . . 72.42 111.303 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -87.41 -48.33 8.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.691 0.626 . . . . 74.31 112.691 -173.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 75.0 m-85 -107.59 70.49 0.78 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.241 0.543 . . . . 74.24 110.929 -173.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 57.9 mtt180 -81.44 -36.19 29.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.535 -0.757 . . . . 72.42 112.268 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -134.22 17.68 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 73.42 111.115 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 16.1 ttmm -86.74 118.54 26.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.499 -0.556 . . . . 71.02 109.499 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.66 157.56 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 71.35 111.445 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.1 -31.91 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.375 -0.83 . . . . 65.33 110.653 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -88.4 -9.28 53.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.813 -0.63 . . . . 71.04 111.284 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.3 10.09 39.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.412 0.625 . . . . 74.0 110.357 -172.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.606 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 46.9 mm -77.25 96.53 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.731 -0.668 . . . . 74.31 110.32 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.621 ' HZ3' ' HB2' ' A' ' 48' ' ' LYS . 3.8 ttmp? -70.53 129.92 40.5 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.933 -0.766 . . . . 71.14 108.933 175.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 49' ' ' ARG . 14.5 ptt180 -61.88 -26.44 68.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.33 110.932 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 31.1 m -65.83 -38.57 89.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.392 -0.367 . . . . 75.55 110.307 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.728 ' HA ' ' HD2' ' A' ' 54' ' ' LYS . 48.7 mt-10 -71.13 -33.84 70.48 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.318 -0.401 . . . . 64.04 110.299 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CE2' HG21 ' A' ' 93' ' ' THR . 72.6 t80 -67.81 -41.29 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.146 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -62.48 -39.77 94.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 75.34 110.068 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.728 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 59.5 mttm -56.76 -48.65 77.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.204 0.526 . . . . 73.13 110.07 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.565 ' CE2' HD22 ' A' ' 71' ' ' LEU . 85.2 t80 -56.03 -46.33 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.098 -0.955 . . . . 74.14 111.024 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.97 -40.87 95.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 74.34 111.671 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.4 m-20 -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.702 0.287 . . . . 54.13 110.823 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.83 -34.17 69.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.995 0.426 . . . . 71.53 110.692 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.6 -38.23 73.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 74.21 110.103 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.43 -5.41 82.2 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.967 -0.56 . . . . 72.44 112.713 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 101' ' ' SER . 87.3 mt -91.1 -14.06 31.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 75.11 110.497 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -120.64 -1.98 9.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.187 -0.461 . . . . 63.54 111.879 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.4 m80 -145.38 164.36 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 72.31 111.174 -174.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.4 m -83.09 176.61 9.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 71.31 111.116 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -59.95 -42.32 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.706 -0.679 . . . . 72.32 111.612 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.94 -43.45 98.63 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.864 -0.334 . . . . 74.34 111.585 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -62.13 -45.56 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 75.32 111.039 -175.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.99 -34.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.433 -0.349 . . . . 74.44 110.789 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -61.77 -50.09 73.77 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.024 0.44 . . . . 75.05 110.476 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 43.3 mttt -64.58 -42.63 95.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.559 -0.746 . . . . 71.12 110.604 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' A' ' 55' ' ' PHE . 33.7 tp -52.65 -57.34 10.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 75.44 110.952 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -57.72 -40.2 79.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 74.03 111.203 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -61.54 -43.71 98.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 73.22 111.396 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.3 m-85 -63.95 -46.27 85.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.463 0.649 . . . . 75.44 109.762 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.531 HG22 ' HZ ' ' A' ' 4' ' ' PHE . 77.5 mt -65.06 -40.25 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.957 -1.019 . . . . 62.14 111.191 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HE ' ' HB ' ' A' ' 93' ' ' THR . 46.2 mtt180 -61.07 -47.72 85.05 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.681 -0.236 . . . . 72.45 111.015 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.16 -37.79 81.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.547 -0.297 . . . . 72.42 111.049 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.87 61.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 61.43 111.273 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.606 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 25.3 m-85 -63.66 -43.26 97.23 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.705 0.288 . . . . 75.54 111.215 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.437 ' HA ' HD13 ' A' ' 83' ' ' ILE . 26.3 t70 -61.18 -34.25 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.151 -0.477 . . . . 62.12 111.036 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.585 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 34.5 t70 -73.78 -34.81 64.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.77 0.319 . . . . 71.01 110.536 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' ' 87' ' ' TYR . . . -61.59 -38.33 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.318 -0.623 . . . . 73.0 109.318 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 79' ' ' PHE . 84.4 mt -65.49 -32.7 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.571 -0.741 . . . . 71.33 110.978 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.585 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 54.5 m170 -55.14 -52.19 64.05 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.356 -0.384 . . . . 74.15 110.987 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -84.83 -27.41 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.384 -0.371 . . . . 74.02 110.51 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.25 54.88 0.69 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.796 -0.716 . . . . 75.25 112.36 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.605 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -89.91 -70.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.981 0.42 . . . . 72.54 110.393 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.89 177.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 64.31 111.471 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.85 -57.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 75.11 110.055 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 4.0 mmtp -163.62 -168.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 71.23 110.013 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -89.86 113.8 58.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.286 -0.416 . . . . 70.44 110.393 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.95 7.55 2.0 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.625 2.883 . . . . 63.11 113.349 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.475 HG21 ' CE2' ' A' ' 52' ' ' TYR . 76.3 p -91.89 16.47 10.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.021 0.439 . . . . 74.25 110.641 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.7 -51.76 68.57 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.617 -0.72 . . . . 75.23 109.997 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -101.99 81.41 2.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.666 -0.697 . . . . 72.23 109.318 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.88 4.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 62.44 110.856 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -118.77 152.57 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.896 0.379 . . . . 73.12 110.338 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 mt -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 72.22 109.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -86.02 65.61 9.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 65.33 111.014 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.26 102.55 0.86 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 64.52 109.871 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.67 ' HB2' HD22 ' A' ' 61' ' ' LEU . 4.5 m . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 73.22 110.716 -173.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.605 HG21 ' HE2' ' A' ' 87' ' ' TYR . 14.9 tt . . . . . 0 C--O 1.236 0.381 0 N-CA-C 110.199 -0.297 . . . . 63.43 110.199 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 64.2 p -75.22 146.85 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.084 -0.339 . . . . 74.32 110.084 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 75' ' ' ILE . 24.3 t80 -62.51 -36.17 81.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.505 -0.316 . . . . 73.01 111.245 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.25 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 73.13 111.054 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.28 -35.03 79.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 64.24 110.521 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.34 -47.43 86.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 72.33 111.007 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.1 -49.27 78.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 75.22 111.006 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -65.58 -41.25 93.1 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.915 -0.314 . . . . 74.24 110.496 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.27 -47.22 85.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 72.21 110.205 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.576 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.9 t90 -55.96 -49.79 72.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 74.53 110.338 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.646 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.9 t80 -61.69 -48.34 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.091 -0.504 . . . . 75.52 111.898 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.723 ' HG3' HD21 ' A' ' 17' ' ' LEU . 45.4 tt0 -60.05 -34.57 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 72.35 111.8 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.04 -25.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.837 0.351 . . . . 73.15 111.536 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.2 m-20 -106.06 -37.87 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.312 0.856 . . . . 65.14 113.312 -167.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.5 mmtt -123.36 -17.26 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.49 0.552 . . . . 73.1 112.49 -171.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.731 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.1 tp -49.37 -58.95 7.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 113.339 0.866 . . . . 63.02 113.339 -171.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 4.2 Cg_endo -83.2 7.52 5.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.171 1.914 . . . . 74.05 112.564 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.4 m-70 -109.83 -31.85 7.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 75.31 110.945 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.644 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.2 m -92.89 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 53.33 111.389 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.9 p -78.26 166.51 22.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 61.52 110.215 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.56 -34.24 73.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 74.22 110.897 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 p -61.34 -39.84 92.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.22 -0.446 . . . . 74.05 110.605 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.715 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 29.6 m -74.7 -33.63 62.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 75.42 110.266 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.646 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 12.2 mtpp -55.51 -44.54 76.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.209 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -53.71 -45.31 70.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.421 -0.808 . . . . 65.43 111.263 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.715 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -58.59 -52.33 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.776 0.322 . . . . 73.15 110.852 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -62.0 -48.88 78.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 73.31 111.56 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.23 -39.35 78.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.352 . . . . 74.34 111.796 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.9 m -64.78 -39.85 94.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.833 0.349 . . . . 74.3 110.184 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.56 -45.51 93.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.624 -0.51 . . . . 72.4 109.624 175.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.15 -35.22 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.316 -0.857 . . . . 74.5 111.288 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -43.04 95.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.598 0.237 . . . . 71.11 111.131 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -65.02 -35.97 82.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.114 0.483 . . . . 75.41 109.855 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' ALA . 89.6 mt -70.54 -45.12 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.87 -0.605 . . . . 71.32 110.672 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.62 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.947 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -83.17 -36.83 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.605 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -83.7 -57.19 3.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 74.4 111.307 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.746 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 93.6 m-85 -89.81 50.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.921 -0.581 . . . . 62.42 111.183 -171.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -62.8 107.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.426 -0.806 . . . . 75.14 110.369 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.515 ' HA ' HG22 ' A' ' 3' ' ' THR . 6.4 m170 66.05 13.47 9.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.951 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.746 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 38.7 tttp -86.04 123.57 31.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.611 -0.268 . . . . 74.53 110.296 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 57.6 mt -72.03 151.9 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 74.5 110.274 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' A' ' 88' ' ' VAL . 2.5 pt? -71.04 -15.54 62.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.299 -0.41 . . . . 71.31 111.229 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.7 ' HB3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -97.39 11.55 36.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 64.43 112.153 -177.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 3.8 p30 -127.67 13.79 6.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.238 0.542 . . . . 70.45 109.97 170.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 39' ' ' PHE . 34.2 mm -74.34 112.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 74.41 109.483 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -82.82 164.96 20.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.745 0.307 . . . . 61.32 110.285 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HG2' ' HB3' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -68.61 -35.48 77.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.607 -0.516 . . . . 52.02 109.607 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 p -70.64 -38.61 73.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.273 -0.876 . . . . 75.22 111.181 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -64.62 -39.14 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.148 0.499 . . . . 72.24 110.266 175.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CE2' HG22 ' A' ' 93' ' ' THR . 33.3 t80 -69.44 -38.87 78.02 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 74.51 110.393 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.32 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 15.5 ptpt -68.01 -29.34 68.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.003 0.43 . . . . 73.31 110.302 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 71' ' ' LEU . 89.5 t80 -65.16 -44.75 87.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.651 173.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.28 -39.29 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 74.23 110.983 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.72 -38.99 83.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 65.44 111.142 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.61 -41.25 63.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.189 0.519 . . . . 75.21 110.563 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.92 -33.78 76.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.962 -0.563 . . . . 75.31 110.398 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.77 -8.29 84.35 Favored Glycine 0 C--O 1.228 -0.238 0 CA-C-N 116.016 -0.538 . . . . 65.2 112.829 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 101' ' ' SER . 91.1 mt -91.15 -23.29 20.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.078 0.466 . . . . 70.12 110.595 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -104.27 -34.19 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.686 -0.688 . . . . 73.14 112.024 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -121.27 165.24 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.352 . . . . 73.43 111.241 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 p -75.88 173.85 10.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.79 -0.641 . . . . 75.43 111.781 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.86 -47.14 84.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 74.04 111.906 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 9.0 tt0 -61.5 -37.12 82.53 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.384 -0.526 . . . . 62.25 110.279 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 m -66.29 -46.27 77.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 71.21 110.871 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -71.15 -34.19 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 63.24 110.585 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HA ' HD21 ' A' ' 98' ' ' LEU . 63.2 ttt180 -61.39 -44.76 96.6 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.067 0.46 . . . . 74.12 110.212 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 20.7 mtpt -69.65 -36.8 76.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.665 -0.698 . . . . 64.33 110.904 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.552 HD23 ' CE2' ' A' ' 55' ' ' PHE . 22.7 tp -53.31 -52.87 57.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.032 0.444 . . . . 75.21 110.666 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -55.16 -41.27 71.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.452 -0.794 . . . . 53.31 110.489 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -63.21 -42.73 99.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.855 -0.611 . . . . 73.24 111.141 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -62.89 -52.94 61.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 73.41 110.417 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.4 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 70.0 mt -65.44 -43.98 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.567 -0.742 . . . . 75.2 111.361 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.58 -38.95 89.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.591 -0.277 . . . . 74.21 110.542 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -64.75 -40.5 95.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.98 0.419 . . . . 75.13 110.018 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.48 90.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 52.44 111.221 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.07 -31.77 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.346 . . . . 73.41 111.227 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 18.9 t70 -58.06 -34.67 70.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.464 175.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -76.43 -42.48 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 74.43 110.573 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.77 -44.38 81.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.081 -0.509 . . . . 72.32 110.962 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 83' ' ' ILE . 10.9 tt -74.31 -33.26 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.091 0.472 . . . . 72.51 110.365 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.9 t-80 -63.65 -31.93 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 74.22 109.779 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.36 -48.85 12.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.122 -0.944 . . . . 65.4 109.356 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.2 12.72 11.66 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.069 -1.212 . . . . 75.3 110.069 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.605 ' HE2' HG21 ' A' ' 2' ' ' ILE . 5.4 t80 -69.83 -37.56 76.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.661 -0.77 . . . . 75.14 109.721 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' A' ' 45' ' ' LYS . 47.1 t -132.83 131.56 59.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.222 -0.899 . . . . 61.11 108.656 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.54 -33.06 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.233 0.457 . . . . 70.13 112.233 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 74.31 110.805 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 14.6 p-10 -94.51 138.88 22.23 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.932 -0.576 . . . . 72.43 111.103 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 36.4 Cg_exo -63.09 -19.66 69.42 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.719 2.946 . . . . 73.52 113.198 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.409 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.3 p -75.05 68.48 1.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.663 0.744 . . . . 52.32 110.557 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 64.1 t80 -106.9 -45.23 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.073 -0.967 . . . . 63.25 110.76 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -134.72 28.33 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.442 . . . . 74.55 110.786 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.04 134.99 55.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 75.13 111.793 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -116.53 137.04 52.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.486 -0.779 . . . . 75.54 110.528 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 69' ' ' ARG . 70.3 mt -76.45 97.01 4.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.935 -0.765 . . . . 72.1 108.935 171.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -113.78 90.6 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.967 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.07 124.79 50.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.03 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.615 ' HB3' HD21 ' A' ' 61' ' ' LEU . 38.2 t . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 121.231 0.538 . . . . 65.11 109.997 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.609 HG21 ' HD1' ' A' ' 7' ' ' TYR . 14.5 tt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.084 -0.339 . . . . 53.13 110.084 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.609 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.6 p -70.47 148.86 47.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.272 -0.27 . . . . 73.53 110.272 177.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.445 ' HZ ' HG21 ' A' ' 75' ' ' ILE . 18.8 t80 -60.29 -38.68 84.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 75.31 110.771 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.23 69.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 64.52 111.17 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.38 -33.28 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.6 -0.273 . . . . 64.51 111.111 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.609 ' HD1' HG21 ' A' ' 2' ' ' ILE . 49.5 t80 -63.59 -43.03 98.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.847 -0.427 . . . . 74.31 109.847 177.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.93 -44.82 95.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.613 -0.721 . . . . 73.5 110.294 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -65.11 -47.2 78.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 72.4 110.72 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.21 -51.56 69.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.006 -0.543 . . . . 73.31 110.153 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -52.35 -45.39 65.67 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.217 -0.901 . . . . 75.34 110.952 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.635 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.2 t80 -65.7 -58.07 6.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.915 -0.584 . . . . 74.43 111.693 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.13 -38.17 82.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 75.33 111.933 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.69 -21.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.109 0.411 . . . . 64.41 112.109 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -124.52 -55.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.501 0.926 . . . . 72.21 113.501 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.4 mmtt -80.57 -12.07 59.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.273 0.472 . . . . 73.44 112.273 -167.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.595 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 46.1 tp -47.35 -55.41 16.29 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.391 0.885 . . . . 73.33 113.391 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 88.8 Cg_endo -80.99 8.05 4.56 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.79 1.66 . . . . 70.42 113.559 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -119.82 -1.22 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.673 0.273 . . . . 71.11 111.343 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.783 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.9 m -113.13 159.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.926 0.394 . . . . 73.21 111.294 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 89.2 p -97.05 177.09 5.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.195 -0.669 . . . . 73.31 109.195 174.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.68 -32.09 73.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.701 -0.481 . . . . 75.54 109.701 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.792 -0.64 . . . . 72.42 109.393 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.783 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 3.1 m -62.64 -40.11 95.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.3 110.317 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 97.6 mttt -56.8 -51.03 70.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.242 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.82 -33.72 70.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.859 -0.61 . . . . 74.25 111.542 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 24' ' ' THR . 54.1 m-70 -59.75 -51.44 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 74.32 110.389 172.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.03 -43.77 98.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 72.33 111.252 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.12 -44.06 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 64.11 110.952 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.902 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 50.6 m -62.31 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.43 110.48 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.41 -53.11 61.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 74.32 110.318 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -56.24 -44.71 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.796 . . . . 71.21 111.975 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.902 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 65.1 pttt -71.69 -31.89 67.25 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.08 -0.248 . . . . 74.01 111.589 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -75.73 -33.14 60.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.851 0.358 . . . . 75.33 110.491 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.9 mt -63.06 -51.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 63.13 110.69 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 18.7 ptpt -65.42 -27.28 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 74.13 110.792 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.5 -47.85 82.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.766 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -86.78 -46.61 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.702 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.641 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 77.0 m-85 -98.69 67.08 1.7 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.281 0.562 . . . . 74.02 111.56 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.52 115.67 10.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.725 -0.671 . . . . 75.43 110.629 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 m170 61.22 19.11 9.78 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.226 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.641 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -93.49 116.27 28.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.116 0.484 . . . . 72.12 111.252 -171.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 61.1 mt -60.7 145.7 48.39 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.349 -0.842 . . . . 74.53 109.834 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.83 ' HA ' HD13 ' A' ' 47' ' ' ILE . 2.5 pt? -67.13 -14.64 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 74.52 111.23 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -76.23 -15.58 60.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 74.2 110.68 176.536 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 10.7 t70 -95.19 -5.32 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 75.4 110.078 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.83 HD13 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mp -84.68 103.23 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 71.13 109.661 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB2' ' OE1' ' A' ' 51' ' ' GLU . 10.4 mtmp? -95.16 150.67 19.95 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.328 -0.619 . . . . 73.42 109.328 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 2.9 ptp180 -56.35 -24.68 45.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.537 0.569 . . . . 70.1 112.537 -174.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 p -70.13 -39.48 75.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.422 -0.354 . . . . 74.42 111.403 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' OE1' ' HB2' ' A' ' 48' ' ' LYS . 3.6 mp0 -76.2 -32.17 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.191 0.52 . . . . 41.04 109.773 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 75' ' ' ILE . 44.2 t80 -60.54 -40.34 91.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 73.23 110.547 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -63.3 -37.71 88.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 65.13 110.367 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.22 -38.75 92.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.022 0.439 . . . . 73.1 110.292 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CE2' HD22 ' A' ' 71' ' ' LEU . 75.3 t80 -62.02 -50.78 70.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.758 -0.655 . . . . 74.44 110.384 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' A' ' 68' ' ' ILE . 87.0 mt -62.35 -33.63 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.566 . . . . 73.23 110.781 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -58.73 -53.45 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 61.43 110.363 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.31 -39.47 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.177 0.513 . . . . 70.51 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -69.63 -38.6 77.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.909 -0.587 . . . . 73.25 110.69 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.21 -12.91 84.16 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.112 -0.495 . . . . 63.2 112.834 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -86.81 -15.98 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.919 0.39 . . . . 73.15 110.484 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -115.03 -20.43 10.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 73.44 112.492 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -123.5 170.57 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.892 0.377 . . . . 62.31 111.539 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -72.26 164.77 25.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.65 -0.705 . . . . 60.44 110.831 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.82 -46.69 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.51 111.373 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 25.6 tt0 -69.55 -28.21 65.8 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.711 -0.396 . . . . 63.42 110.699 -176.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -63.41 -48.86 76.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.584 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.4 tt -73.68 -34.56 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.99 0.424 . . . . 65.32 110.411 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HA ' HD12 ' A' ' 98' ' ' LEU . 63.2 ttt180 -57.76 -49.63 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.538 . . . . 74.32 110.736 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.5 ttmt -69.87 -35.9 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.786 -0.643 . . . . 74.35 110.105 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 55' ' ' PHE . 29.4 tp -55.78 -52.56 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.846 -0.616 . . . . 75.4 110.666 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -56.12 -39.68 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 73.51 110.784 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 t -62.45 -42.61 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.454 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 22.6 m-85 -59.56 -54.04 51.11 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.214 0.53 . . . . 74.13 110.443 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.445 HG21 ' HZ ' ' A' ' 4' ' ' PHE . 77.2 mt -63.88 -43.43 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 74.14 111.753 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.758 ' HB3' HG23 ' A' ' 93' ' ' THR . 3.8 ptm180 -63.92 -36.98 85.72 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.763 -0.375 . . . . 75.24 110.511 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.35 -31.5 63.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.41 110.385 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.72 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.518 . . . . 60.23 110.347 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.45 -30.81 62.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 75.53 110.8 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.589 ' HA ' HG21 ' A' ' 83' ' ' ILE . 15.1 t70 -60.14 -33.06 71.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.394 0.616 . . . . 75.32 109.498 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.5 -48.34 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.359 -0.837 . . . . 72.43 110.059 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB1' HG23 ' A' ' 88' ' ' VAL . . . -65.56 -38.56 89.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 71.32 112.107 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.589 HG21 ' HA ' ' A' ' 80' ' ' ASP . 11.0 tt -73.47 -33.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 74.04 110.932 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -61.88 -28.88 69.82 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.426 0.631 . . . . 75.21 109.609 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.67 -48.46 7.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.079 -0.964 . . . . 52.53 109.868 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.96 37.93 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.417 -1.073 . . . . 73.22 110.417 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -86.19 -46.55 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.973 -0.613 . . . . 75.41 111.433 -173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' ' 44' ' ' LEU . 17.9 m -135.86 -158.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 70.22 110.64 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.432 ' H ' ' HB ' ' A' ' 88' ' ' VAL . 25.2 pt -61.57 168.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.559 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -56.91 -67.6 0.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.688 -0.687 . . . . 74.44 111.588 -175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.68 139.41 1.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.527 -0.306 . . . . 71.41 110.412 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 87.3 Cg_endo -79.39 -16.27 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.709 2.273 . . . . 75.21 112.764 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 76' ' ' ARG . 69.9 p -77.21 0.21 22.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 64.51 110.791 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.37 -35.67 76.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 75.44 111.157 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.515 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 71.3 mmtt -120.12 28.89 7.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.453 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.37 153.74 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.086 0.469 . . . . 75.41 111.37 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -145.38 144.28 30.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.48 -0.782 . . . . 72.55 109.792 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 69' ' ' ARG . 79.0 mt -104.54 36.55 2.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 74.3 112.082 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -77.91 92.2 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.647 -0.421 . . . . 74.11 110.985 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.68 110.55 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.779 -0.646 . . . . 37.7 110.041 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 61' ' ' LEU . 24.5 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 120.933 0.397 . . . . 63.33 111.35 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.515 HG23 ' OH ' ' A' ' 87' ' ' TYR . 11.0 tp . . . . . 0 C--O 1.237 0.396 0 CA-C-O 121.155 0.503 . . . . 74.33 110.189 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -76.45 150.82 36.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.747 -0.661 . . . . 61.25 111.031 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HD1' HD12 ' A' ' 44' ' ' LEU . 17.8 t80 -58.09 -46.87 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 74.43 111.355 -175.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.95 74.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.973 0.416 . . . . 63.51 111.212 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.09 -44.99 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 61.13 110.951 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.5 ' HD1' HG21 ' A' ' 2' ' ' ILE . 63.9 t80 -61.8 -47.22 86.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.46 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.63 -52.78 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 75.02 111.609 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -71.79 -38.55 70.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 74.31 111.183 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -63.71 -44.39 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.126 0.489 . . . . 73.45 110.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -52.71 -45.11 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.377 -0.829 . . . . 73.13 110.143 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 17.6 t80 -66.24 -49.11 68.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.431 -0.804 . . . . 74.55 111.229 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.859 ' HG3' HD23 ' A' ' 17' ' ' LEU . 42.8 tt0 -57.2 -47.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 73.22 111.934 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.85 -28.33 42.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.534 -0.303 . . . . 75.11 111.582 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -111.52 -67.22 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.785 0.661 . . . . 74.43 112.785 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.0 mptp? -88.57 -26.08 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.367 0.506 . . . . 74.34 112.367 -169.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.859 HD23 ' HG3' ' A' ' 13' ' ' GLU . 15.3 tp -42.75 -59.51 2.91 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 114.05 1.13 . . . . 73.32 114.05 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 14.7 Cg_endo -87.83 15.02 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.129 1.886 . . . . 72.13 113.303 -171.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -124.39 0.95 8.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.955 0.407 . . . . 74.44 110.717 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.654 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 14.1 m -121.48 153.3 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.113 -0.494 . . . . 73.25 110.451 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -93.77 178.22 5.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 73.31 110.073 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.4 mm-40 -49.66 -37.59 29.05 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.269 0.355 . . . . 73.02 111.411 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -50.73 -50.32 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 75.2 111.31 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.654 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 4.1 m -78.24 -33.47 49.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.223 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.739 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 8.6 mtpm? -63.17 -41.04 99.17 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.973 -0.558 . . . . 54.4 111.437 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.8 mtt180 -54.06 -37.76 64.53 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.112 0.258 . . . . 75.24 111.255 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -72.48 -44.94 61.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.358 -0.383 . . . . 71.14 110.508 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.27 -44.47 87.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.607 -0.27 . . . . 74.22 111.584 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.25 -42.68 99.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.86 0.362 . . . . 63.05 110.278 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.539 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 11.2 t -68.42 -36.6 79.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.185 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.17 68.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 75.12 110.162 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.488 -0.778 . . . . 75.31 111.721 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 22.3 ptmt -64.31 -38.7 91.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.597 -0.441 . . . . 54.53 111.173 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 30' ' ' SER . 82.1 m-70 -73.53 -39.44 64.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.958 -0.297 . . . . 64.32 110.723 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.18 -49.46 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 CA-C-O 120.757 0.313 . . . . 71.11 110.227 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 25.1 ttmt -59.83 -29.56 68.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 74.34 111.213 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.32 -44.86 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.044 -0.525 . . . . 74.24 111.502 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -88.0 -42.59 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 74.51 111.575 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -114.25 90.26 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.373 0.606 . . . . 74.11 109.66 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 38.3 mtp85 -91.76 -50.25 5.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.389 -0.823 . . . . 73.25 111.109 -171.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -120.2 14.07 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 75.44 110.839 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -78.05 132.1 37.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 74.3 109.433 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.787 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 77.9 mt -71.61 162.36 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 74.11 110.386 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 HD12 ' HD1' ' A' ' 4' ' ' PHE . 40.6 tp -61.02 -52.89 63.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.27 0.557 . . . . 72.11 110.92 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HB3' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -74.24 -7.25 52.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 74.33 110.945 -178.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.8 t70 -99.22 12.55 35.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 63.02 110.596 -169.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.7 mm -83.08 112.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 71.33 110.209 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -75.18 129.52 37.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 62.02 110.511 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -53.39 -31.27 44.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.405 -0.816 . . . . 64.21 111.758 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 4.1 p -70.37 -43.77 69.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 74.04 111.078 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 26.2 mm-40 -66.91 -33.89 76.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.276 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -62.9 -34.82 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.621 -0.718 . . . . 75.24 110.281 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 50' ' ' THR . 6.6 tp-100 -55.91 -45.02 78.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.572 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.26 -46.2 81.44 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.625 -0.261 . . . . 75.2 110.628 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE2' HD22 ' A' ' 71' ' ' LEU . 72.4 t80 -54.47 -39.6 67.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 70.55 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 96' ' ' ALA . 73.8 mt -74.07 -43.76 56.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.099 -0.5 . . . . 62.55 111.766 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 p30 -73.08 -24.83 60.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.426 -0.51 . . . . 74.54 111.557 -176.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.04 -35.36 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.411 0.624 . . . . 63.22 109.64 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.21 -36.16 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.613 -0.722 . . . . 75.44 110.549 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.33 -3.54 77.2 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.995 -0.548 . . . . 71.52 113.678 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 94.1 mt -90.17 -34.34 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.02 0.438 . . . . 75.23 110.112 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -90.99 -38.46 12.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.363 0.601 . . . . 71.1 111.108 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -115.26 143.76 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 72.52 109.648 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 t -77.46 -178.98 5.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 72.41 111.351 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.9 t80 -57.57 -41.37 80.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.471 -0.786 . . . . 75.34 111.917 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.49 -45.19 92.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.889 0.376 . . . . 70.15 111.242 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -72.36 -41.82 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.408 -177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.457 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.0 tt -67.0 -33.98 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 110.068 -0.345 . . . . 53.42 110.068 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -60.07 -46.4 89.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.008 0.433 . . . . 72.41 110.069 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -58.26 -50.31 74.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 61.41 110.472 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 55' ' ' PHE . 47.1 tp -52.41 -53.29 47.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 74.14 111.066 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.81 -38.32 84.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 74.11 110.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.41 111.089 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -65.31 -48.5 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 74.32 110.011 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.81 -48.18 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 75.34 111.082 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 76' ' ' ARG . 22.3 ttt180 -66.5 -33.45 75.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.273 -0.421 . . . . 42.34 110.973 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -40.04 76.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.248 -0.279 . . . . 63.31 110.248 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.64 97.09 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 64.51 110.689 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.19 -36.62 82.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.42 111.033 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 83' ' ' ILE . 24.2 t70 -62.29 -41.85 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.668 -0.242 . . . . 64.34 110.63 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 53.15 110.494 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.54 -48.56 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 71.24 111.296 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 80' ' ' ASP . 15.0 tt -65.69 -31.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 74.23 110.239 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.3 t-80 -59.03 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 73.14 110.443 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.93 -16.14 25.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.861 -0.609 . . . . 73.32 110.555 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.01 11.91 58.26 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.986 -0.626 . . . . 36.9 111.809 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.515 ' OH ' HG23 ' A' ' 2' ' ' ILE . 22.8 t80 -71.61 -36.78 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 74.24 111.302 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 45' ' ' LYS . 27.7 m -115.65 145.8 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.762 0.315 . . . . 75.04 110.371 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 90' ' ' LYS . 7.2 tp -79.39 -50.69 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.429 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 89' ' ' ILE . 97.1 mttt -142.29 159.09 42.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.769 -0.456 . . . . 74.24 109.769 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.11 143.54 26.3 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 53.42 110.875 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.71 -17.26 37.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.898 2.399 . . . . 61.0 112.594 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -75.39 76.08 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.432 0.634 . . . . 73.33 110.084 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -143.48 -62.44 0.4 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 73.14 109.934 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -96.15 25.23 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.772 0.796 . . . . 75.23 109.555 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 56' ' ' LEU . . . -135.75 145.09 46.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.047 -0.979 . . . . 72.02 110.163 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 99' ' ' HIS . 8.9 pt-20 -135.58 170.27 16.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.32 -177.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.38 70.22 7.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.235 0.541 . . . . 44.42 109.865 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 97' ' ' GLU . 7.9 t60 -93.55 65.78 3.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.746 -0.661 . . . . 62.42 110.266 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.5 168.73 19.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 74.5 109.925 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.319 -0.721 0 C-N-CA 120.929 -0.309 . . . . 72.12 111.061 179.341 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.016 0.436 . . . . 72.42 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 41' ' ' HIS . 0.8 OUTLIER -70.52 141.31 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.842 -0.617 . . . . 72.32 110.857 176.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -59.85 -41.51 91.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.45 111.766 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.07 73.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.147 0.499 . . . . 71.33 110.83 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.6 -38.91 81.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.6 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -59.82 -46.53 88.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.837 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -58.91 -49.23 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.912 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 74.25 110.554 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.33 -47.59 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 73.45 110.418 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -53.96 -41.3 67.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 74.22 110.092 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.485 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 31.3 t80 -65.15 -57.95 7.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.942 -0.572 . . . . 73.25 110.707 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.54 -41.87 63.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.561 0.538 . . . . 61.22 112.24 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.72 -36.19 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.581 -0.282 . . . . 73.22 111.512 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.825 0.345 . . . . 73.11 111.594 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 107.25 16.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.34 -0.615 . . . . 73.52 109.34 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.913 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 27.4 tp -151.4 -61.95 0.02 OUTLIER Pre-proline 0 C--N 1.315 -0.891 0 C-N-CA 120.128 -0.629 . . . . 63.25 111.047 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.913 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.2 Cg_endo -85.13 -3.78 9.58 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.904 1.736 . . . . 73.42 111.426 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -104.22 -1.16 27.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.773 -0.649 . . . . 61.44 111.327 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.98 165.63 21.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.503 -0.317 . . . . 73.33 110.787 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -90.82 166.09 13.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.138 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.5 pt-20 -61.06 -29.21 69.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.622 -0.263 . . . . 71.22 110.635 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 p -60.59 -43.42 97.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.198 0.523 . . . . 73.33 110.194 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -64.2 -37.41 87.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.41 110.152 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.69 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 7.5 mtpm? -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 73.21 110.078 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 79.7 mtt180 -58.99 -37.86 77.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 73.21 111.041 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -60.92 -54.02 50.12 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.918 0.39 . . . . 73.31 110.881 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -62.67 -40.64 97.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.645 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.92 -36.35 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.455 0.169 . . . . 71.13 111.163 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.631 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 66.8 m -65.58 -39.06 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.412 . . . . 71.03 109.925 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.81 -51.22 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.639 . . . . 55.13 110.024 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.31 -44.1 79.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.166 -0.925 . . . . 75.33 112.166 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 63.8 pttt -69.99 -32.25 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.838 -0.345 . . . . 74.3 111.147 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -75.92 -32.6 59.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.881 0.372 . . . . 74.34 110.393 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.1 mt -63.06 -47.15 94.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.515 -0.55 . . . . 70.13 109.515 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.3 ttmt -64.06 -28.06 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 70.52 110.639 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.98 -42.95 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.874 -0.603 . . . . 75.23 111.178 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -87.32 -48.38 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 74.02 111.22 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -114.66 82.35 1.71 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.459 -0.571 . . . . 73.52 109.459 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 24.7 mtm180 -59.43 -39.6 84.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.807 -173.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.429 ' HB2' HG22 ' A' ' 3' ' ' THR . 0.6 OUTLIER -156.24 57.76 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.876 0.846 . . . . 72.11 110.306 174.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.57 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -89.79 142.59 27.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 72.31 108.6 177.097 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 90.5 mt -68.71 160.46 30.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.661 0.267 . . . . 64.12 110.862 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.8 -43.04 90.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 64.04 111.455 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -93.6 14.58 18.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.084 0.469 . . . . 74.43 110.435 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.826 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t0 -106.99 6.36 29.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.618 0.723 . . . . 65.42 109.962 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.57 HD13 ' HG2' ' A' ' 42' ' ' LYS . 27.0 mm -92.97 109.89 22.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.334 -0.848 . . . . 74.23 110.156 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.89 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 88.8 mttt -74.77 149.97 39.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 72.53 110.537 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 12.3 ptt180 -66.71 -33.83 76.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 74.23 110.545 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 12.7 p -70.88 -33.82 70.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 72.42 111.404 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.89 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 10.1 mm-40 -68.7 -37.3 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.406 0.622 . . . . 75.12 109.42 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.45 -35.7 80.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 72.22 110.33 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -60.81 -44.09 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 71.41 110.371 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 50' ' ' THR . 50.3 mttm -64.44 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.238 0.542 . . . . 72.01 110.276 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' A' ' 71' ' ' LEU . 77.9 t80 -63.44 -49.12 74.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.413 -0.812 . . . . 72.24 110.551 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.91 -39.83 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 72.13 110.872 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 14.8 t-20 -57.51 -50.06 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 73.44 110.59 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.28 -39.43 86.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.074 -0.512 . . . . 63.52 111.156 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -66.65 -35.11 79.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 71.14 110.544 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.72 -12.0 84.85 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.077 -0.583 . . . . 44.41 112.61 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 91.4 mt -90.48 -14.59 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.893 0.378 . . . . 61.44 110.485 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -114.4 -25.33 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.516 . . . . 55.43 112.257 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.42 159.88 33.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 73.45 110.805 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.7 m -67.76 165.97 16.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 61.41 111.943 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.37 -43.65 92.85 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.529 -0.759 . . . . 74.34 111.992 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 16.9 mt-10 -70.25 -28.29 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.2 -0.6 . . . . 75.34 111.243 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -66.99 -48.29 68.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.325 -0.398 . . . . 73.42 110.227 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.42 HG21 ' HB2' ' A' ' 100' ' ' ALA . 9.6 tt -71.38 -34.65 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.566 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -64.37 -44.2 92.13 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.142 -0.318 . . . . 75.01 110.142 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -61.5 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.505 -0.554 . . . . 63.02 109.505 177.238 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 55' ' ' PHE . 28.2 tp -52.82 -54.82 28.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.658 -0.701 . . . . 74.32 111.061 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 63.9 t30 -56.24 -40.16 73.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.471 -0.786 . . . . 52.23 110.489 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 m -63.34 -40.97 98.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.87 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -64.67 -49.1 72.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.95 0.405 . . . . 75.55 110.803 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.71 -40.41 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.619 . . . . 73.3 111.204 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HA ' HG23 ' A' ' 93' ' ' THR . 19.6 mtp180 -62.42 -44.24 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.254 -0.276 . . . . 64.42 110.254 175.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.72 -35.17 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 62.42 110.587 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.76 15.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 62.12 111.458 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -66.64 -34.06 77.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.63 -0.259 . . . . 71.42 111.37 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.576 ' O ' HG23 ' A' ' 83' ' ' ILE . 26.4 t70 -64.81 -37.33 87.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 65.41 109.841 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.656 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 27.9 t0 -71.03 -34.22 71.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.454 . . . . 73.24 110.304 177.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -66.41 -43.89 84.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 74.12 110.876 176.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -65.59 -28.66 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 71.52 110.797 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.656 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 40.0 m170 -54.12 -34.51 60.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.137 0.494 . . . . 73.13 110.019 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -94.04 -15.63 24.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.802 -0.635 . . . . 64.41 111.019 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 19.44 60.5 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.952 -0.859 . . . . 50.13 110.952 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.504 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -61.82 -37.85 85.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.496 . . . . 72.33 109.99 -178.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.52 162.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 74.04 110.789 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 90' ' ' LYS . 7.8 tp -139.8 141.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.803 -0.814 . . . . 62.23 108.803 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 89' ' ' ILE . 59.2 mttp 58.82 44.89 16.22 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.284 0.564 . . . . 71.34 109.79 -175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.0 148.68 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.074 -0.967 . . . . 73.24 111.862 -175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 18.5 Cg_endo -59.09 -25.73 79.01 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.401 2.734 . . . . 75.33 113.508 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.541 HG23 ' HA ' ' A' ' 76' ' ' ARG . 23.3 p -79.46 6.16 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.473 . . . . 74.01 111.305 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.97 -44.44 94.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.761 . . . . 75.23 110.262 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -131.17 98.22 4.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 73.33 110.17 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.46 47.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 74.23 110.728 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.29 153.75 50.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 109.917 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -99.04 96.13 7.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 71.11 111.033 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -95.65 80.74 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.015 -0.539 . . . . 64.2 109.928 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 68' ' ' ILE . . . -108.04 108.99 20.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.718 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 121.28 0.562 . . . . 71.45 109.878 177.158 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' A' ' 7' ' ' TYR . 14.8 tt . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.599 0.238 . . . . 72.31 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 34.1 p -63.47 142.69 58.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.486 -0.324 . . . . 74.43 110.461 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.56 -43.13 97.62 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.099 0.249 . . . . 72.44 111.642 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -56.19 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.301 . . . . 71.03 111.213 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 34.7 t70 -63.37 -34.61 78.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.991 -0.549 . . . . 72.4 110.55 -177.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.477 ' HB2' HG21 ' A' ' 2' ' ' ILE . 82.2 t80 -64.9 -44.42 89.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.952 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -58.7 -49.02 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 74.43 111.021 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.31 -38.31 74.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 60.23 110.198 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 5.3 tp-100 -59.63 -48.88 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.558 -0.534 . . . . 74.22 109.558 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.79 -43.82 81.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.188 -0.914 . . . . 72.1 110.846 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.508 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 29.3 t80 -60.66 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.554 . . . . 72.12 111.022 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HG2' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.69 -45.15 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 72.32 110.55 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.01 -32.17 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.012 -0.54 . . . . 74.24 111.62 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -108.39 -73.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.388 0.884 . . . . 72.34 113.388 -168.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -83.72 -14.56 51.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.663 0.616 . . . . 72.14 112.663 -166.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD22 ' HG2' ' A' ' 13' ' ' GLU . 23.9 tp -51.21 -53.29 50.45 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 112.782 0.66 . . . . 71.11 112.782 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 74.1 Cg_endo -76.35 7.49 3.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.155 1.903 . . . . 70.31 113.88 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.02 -45.89 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.939 0.399 . . . . 65.12 111.245 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.816 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.3 m -80.25 143.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 71.55 112.193 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 m -80.54 173.75 12.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 62.32 109.882 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.77 -28.94 66.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.861 0.362 . . . . 62.42 110.998 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -62.83 -46.71 86.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.148 -0.478 . . . . 61.52 110.815 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.816 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 50.1 m -75.01 -29.12 60.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 73.52 110.387 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.853 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 7.8 mtpm? -56.68 -45.43 81.76 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.773 -0.455 . . . . 75.43 109.773 173.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -55.75 -32.93 63.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.808 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -64.13 -54.02 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 72.3 110.315 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -65.23 -45.04 86.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 64.13 111.673 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 79.3 mm-40 -56.81 -52.84 63.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.118 0.261 . . . . 74.55 110.647 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -61.23 -40.6 94.61 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.275 -0.42 . . . . 60.14 110.598 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.46 -46.4 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.832 -0.622 . . . . 61.33 110.617 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -58.03 -39.73 79.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.595 . . . . 74.42 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.631 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 41.1 mtpt -65.25 -39.1 92.21 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.605 -0.27 . . . . 73.32 110.737 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 66.0 m-70 -72.22 -36.29 69.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.46 -0.496 . . . . 72.21 110.442 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 31' ' ' ALA . 69.5 mt -64.89 -50.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 74.2 110.774 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.631 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 21.9 pttp -64.39 -25.09 67.87 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.275 0.559 . . . . 71.23 110.599 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 24.7 t70 -65.68 -48.16 72.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.503 -0.771 . . . . 73.54 111.404 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -87.93 -43.32 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 70.12 111.433 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.833 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 57.6 m-85 -110.32 96.99 6.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.853 -0.612 . . . . 72.34 109.423 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 51.2 mtm180 -97.65 -63.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 72.2 110.503 -174.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -113.39 21.52 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.719 0.771 . . . . 74.44 109.429 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.833 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 18.8 ttmm -87.2 119.04 27.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.875 -1.057 . . . . 61.32 109.54 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.639 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 66.9 mt -69.81 170.52 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.749 -0.659 . . . . 73.44 111.381 -175.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -37.02 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 74.11 111.145 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -97.39 8.11 45.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 74.05 110.851 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.565 ' OD2' ' HG3' ' A' ' 42' ' ' LYS . 9.8 t70 -95.42 0.81 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.694 -0.854 . . . . 71.34 108.694 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.647 HD12 ' HG2' ' A' ' 42' ' ' LYS . 33.5 mm -82.1 106.58 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.809 -1.087 . . . . 63.4 110.029 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.75 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 3.7 mptp? -79.78 142.35 35.43 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.709 -0.849 . . . . 74.04 108.709 173.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -56.59 -32.02 64.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.869 0.366 . . . . 64.32 110.72 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -37.18 73.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.034 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.75 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 8.4 mm-40 -64.71 -41.74 95.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.466 0.65 . . . . 65.43 109.738 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.722 ' HE2' ' HB1' ' A' ' 96' ' ' ALA . 51.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 71.3 110.478 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.87 -43.15 98.79 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.263 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -60.07 -46.5 89.37 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.364 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CE2' HD21 ' A' ' 71' ' ' LEU . 66.3 t80 -56.54 -43.45 79.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.488 -0.778 . . . . 74.21 110.864 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 90.5 mt -67.95 -44.43 76.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.12 -0.491 . . . . 74.22 111.075 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.598 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-20 -62.63 -38.37 89.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.488 -0.324 . . . . 72.13 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -68.63 -42.63 77.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 72.35 110.26 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -68.74 -32.81 72.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 73.51 110.225 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.45 6.67 60.16 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.899 -0.591 . . . . 64.42 112.641 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -91.3 -30.89 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 63.11 110.026 171.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -104.64 -22.09 13.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.76 -0.654 . . . . 74.44 111.825 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -126.21 157.21 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.322 -0.399 . . . . 74.44 110.236 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.7 t -84.86 -178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 70.13 110.468 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.02 -32.7 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.859 -0.61 . . . . 71.34 112.284 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -71.65 -46.74 58.07 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.239 -0.584 . . . . 64.13 110.836 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -66.06 -39.48 90.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.534 0.207 . . . . 63.41 111.223 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -67.01 -33.48 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.631 -0.507 . . . . 72.54 109.631 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.8 -39.94 94.42 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.157 -0.474 . . . . 62.52 110.376 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -50.0 75.61 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.975 -0.379 . . . . 74.4 109.975 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 55' ' ' PHE . 51.9 tp -54.5 -50.55 67.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 74.35 110.441 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' HB2' HD21 ' A' ' 98' ' ' LEU . 34.8 t30 -50.71 -46.91 59.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.265 -0.88 . . . . 62.44 110.989 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -59.33 -44.93 92.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 63.44 111.073 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.5 -44.34 87.33 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.044 0.449 . . . . 75.33 110.078 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.573 HD11 ' HE1' ' A' ' 52' ' ' TYR . 84.3 mt -63.87 -42.94 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 62.52 111.319 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.73 ' HG2' HG22 ' A' ' 93' ' ' THR . 60.9 mtt180 -64.88 -40.38 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.065 -0.254 . . . . 63.52 110.683 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.55 -35.51 81.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 72.33 110.243 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -48.17 68.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.077 -0.511 . . . . 75.33 111.208 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -65.24 -40.5 94.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.534 -0.303 . . . . 72.11 110.944 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.571 ' HA ' HG22 ' A' ' 83' ' ' ILE . 32.8 t70 -62.75 -34.84 78.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 62.21 110.884 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -45.71 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.278 0.561 . . . . 65.44 110.002 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 87' ' ' TYR . . . -67.84 -47.34 69.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.516 -0.765 . . . . 75.5 111.564 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.571 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.6 tt -64.0 -32.27 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.624 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -61.53 -31.55 71.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 74.14 110.256 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.65 1.73 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 74.11 110.779 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.06 24.25 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.079 -0.582 . . . . 71.55 112.462 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.583 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . 1.1 t80 -69.34 -55.45 10.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.515 -0.55 . . . . 72.14 109.515 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.71 150.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.758 -0.655 . . . . 64.12 109.446 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.729 HG12 ' HG3' ' A' ' 90' ' ' LYS . 7.2 tt -67.69 -60.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.532 0.206 . . . . 71.01 111.294 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.729 ' HG3' HG12 ' A' ' 89' ' ' ILE . 41.5 mtpt -141.27 168.49 19.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.364 -0.606 . . . . 74.21 109.364 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 75.1 m-20 -86.77 126.27 64.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.876 0.369 . . . . 73.41 111.568 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 14.5 Cg_exo -70.43 -4.56 14.73 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.353 2.702 . . . . 74.41 111.084 172.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 ' HG2' ' A' ' 76' ' ' ARG . 1.8 m -73.39 8.55 1.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.355 -0.839 . . . . 75.44 111.008 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.25 -36.82 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 73.11 110.631 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -96.51 25.38 5.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 74.13 110.473 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.722 ' HB1' ' HE2' ' A' ' 52' ' ' TYR . . . -84.96 74.83 10.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 75.4 111.065 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.37 -16.51 45.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.948 -0.569 . . . . 74.13 110.831 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 72' ' ' ASN . 83.9 mt 59.73 79.31 0.24 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.462 -0.79 . . . . 72.34 110.92 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.93 102.37 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.878 0.37 . . . . 75.02 110.535 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.14 84.86 7.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.498 -0.556 . . . . 61.34 109.498 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.534 ' HB2' HD21 ' A' ' 61' ' ' LEU . 19.6 m . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.492 -0.776 . . . . 63.02 111.84 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.412 HG23 ' OH ' ' A' ' 87' ' ' TYR . 20.7 tt . . . . . 0 C--O 1.243 0.73 0 CA-C-O 121.516 0.674 . . . . 70.21 111.239 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.0 p -81.77 161.31 23.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 73.25 110.224 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -62.61 -40.9 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.738 -0.21 . . . . 75.31 111.117 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HE1' ' A' ' 32' ' ' TYR . . . -61.88 -48.68 79.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.987 0.422 . . . . 64.44 110.598 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.37 -38.48 87.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 64.11 110.364 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -64.65 -52.41 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 75.32 111.245 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.61 -46.13 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.164 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 52.6 t80 -67.06 -45.57 76.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.068 -0.515 . . . . 75.51 110.75 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.88 -47.71 85.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.414 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CZ2' ' HE3' ' A' ' 16' ' ' LYS . 56.7 t90 -54.47 -45.23 73.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 72.34 110.882 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.614 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 45.0 t80 -65.55 -50.46 65.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 73.33 111.081 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.3 -36.45 63.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 73.52 112.439 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.84 -31.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.589 -0.278 . . . . 74.41 111.711 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 46.7 m-80 -101.78 -77.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.713 0.634 . . . . 73.24 112.713 -170.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -79.43 -15.78 57.24 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.595 0.591 . . . . 62.21 112.595 -167.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.3 tp -49.51 -55.23 23.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.084 0.772 . . . . 74.32 113.084 -174.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 78.2 Cg_endo -81.17 10.39 3.44 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.936 1.757 . . . . 65.44 113.747 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -120.22 -39.73 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.817 -0.353 . . . . 74.23 111.581 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.4 m -83.83 157.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 72.02 111.491 -176.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -87.12 169.41 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.629 -0.714 . . . . 75.13 110.293 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 36.5 mt-10 -64.31 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.058 -0.257 . . . . 72.21 111.367 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -42.66 97.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.948 -0.39 . . . . 73.33 109.948 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.499 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -72.06 -33.16 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 64.21 110.476 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.614 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 8.5 mtpm? -59.1 -36.2 74.73 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.021 -0.536 . . . . 73.12 110.482 177.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.5 mtt180 -58.48 -42.34 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.538 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.418 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . 78.7 m-70 -67.8 -48.72 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.753 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.57 -41.82 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 72.21 111.693 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.256 -0.178 . . . . 75.31 111.255 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.468 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 33.7 t -65.51 -43.46 90.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.179 -0.674 . . . . 71.34 109.179 174.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.66 -47.31 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 64.25 110.126 174.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 54.7 t80 -64.75 -41.11 96.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.415 -0.812 . . . . 75.14 112.304 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 19.5 ptmt -63.95 -37.36 87.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.474 -0.49 . . . . 65.43 110.747 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -73.54 -36.24 65.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.697 0.284 . . . . 74.13 110.691 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -62.5 -46.78 95.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.368 -0.378 . . . . 71.11 110.405 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.94 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 74.41 110.759 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -41.03 35.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.512 . . . . 72.33 111.305 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -83.62 -43.66 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.23 111.448 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -114.99 86.13 2.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.363 0.601 . . . . 64.33 109.932 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -82.26 -40.01 22.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.553 -0.749 . . . . 64.33 111.019 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 22.75 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.299 0.571 . . . . 75.22 110.193 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.55 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 21.6 tptt -77.91 128.11 33.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.262 -0.881 . . . . 64.21 110.329 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 93.7 mt -68.53 161.14 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.207 -0.294 . . . . 74.55 110.207 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.12 -30.91 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.397 . . . . 64.25 110.533 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -84.72 -4.84 59.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 65.24 111.483 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 13.3 t70 -102.3 9.92 39.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.324 0.583 . . . . 75.13 110.256 -176.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.476 HD13 ' HG2' ' A' ' 42' ' ' LYS . 28.3 mm -93.72 96.04 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.887 -0.597 . . . . 72.45 109.473 175.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -79.56 150.49 31.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.07 -0.514 . . . . 71.34 110.299 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.619 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 4.5 ptp180 -62.98 -33.93 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 70.25 110.897 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 p -68.18 -44.43 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.067 -0.515 . . . . 74.35 110.68 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.7 -37.32 86.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.772 -0.649 . . . . 75.51 110.186 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 59.5 t80 -61.99 -37.39 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.411 -0.813 . . . . 71.12 111.358 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.14 -37.33 77.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.057 -0.257 . . . . 71.04 110.916 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.59 -36.43 80.86 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.782 0.325 . . . . 75.55 110.434 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -62.27 -49.77 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 72.32 110.049 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.684 ' HB3' HD12 ' A' ' 68' ' ' ILE . 84.9 mt -61.3 -39.47 90.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 74.34 110.359 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -57.69 -57.12 14.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.84 . . . . 62.43 111.249 -177.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.57 -39.47 93.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.16 0.505 . . . . 74.1 110.627 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HE1' ' HB ' ' A' ' 67' ' ' THR . 48.5 t80 -62.98 -47.32 83.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.524 -0.762 . . . . 74.42 110.565 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.88 78.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 116.136 -0.484 . . . . 63.55 112.913 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 83.4 mt -70.21 -13.11 62.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 72.43 111.387 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -120.39 6.66 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 62.2 111.519 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -144.11 -166.46 2.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.438 -0.346 . . . . 74.54 110.336 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.8 t -109.08 179.99 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.199 -0.297 . . . . 45.44 110.199 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 90.9 t80 -65.8 -40.26 91.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.456 -0.338 . . . . 71.23 111.164 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.43 -42.29 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.65 0.241 . . . . 73.42 111.65 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.473 ' HB ' ' HE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -60.25 -47.33 86.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.276 -0.42 . . . . 74.54 111.193 177.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.684 HD12 ' HB3' ' A' ' 56' ' ' LEU . 15.4 tt -74.39 -34.6 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.709 -0.223 . . . . 72.11 111.216 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -65.54 -49.14 69.99 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.952 -0.388 . . . . 65.4 109.952 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.61 -45.91 88.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.69 -0.686 . . . . 60.44 110.479 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 55' ' ' PHE . 48.5 tp -52.84 -53.86 42.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.692 -0.685 . . . . 75.52 111.237 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.491 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 43.6 t30 -54.45 -42.36 70.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 71.54 110.948 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -46.73 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.952 -0.567 . . . . 64.34 111.157 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' HH ' ' HB3' ' A' ' 27' ' ' HIS . 16.5 m-85 -63.38 -47.75 80.76 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.912 0.387 . . . . 75.14 110.657 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.76 -41.29 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.722 -0.672 . . . . 61.13 111.087 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 76' ' ' ARG . 23.5 ttp85 -62.29 -44.07 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.968 -0.382 . . . . 72.44 109.968 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.74 -38.54 88.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.622 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.17 68.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 73.12 110.995 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.5 -38.04 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 75.04 111.138 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.73 -37.27 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.16 -0.473 . . . . 63.13 110.275 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.61 -41.34 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.342 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.16 87.26 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.096 -0.502 . . . . 55.32 110.573 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.4 mt -64.49 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 73.04 110.256 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -62.22 -42.37 99.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.351 -0.841 . . . . 73.13 111.451 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' A' ' 87' ' ' TYR . 6.7 pt-20 -79.12 -18.68 52.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.768 0.318 . . . . 74.32 110.887 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.33 12.03 55.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.859 -0.686 . . . . 62.44 112.455 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.415 ' HB2' ' OE1' ' A' ' 85' ' ' GLU . 19.4 t80 -69.03 -42.5 76.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.023 0.44 . . . . 73.05 110.678 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.68 133.19 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.259 -0.645 . . . . 54.12 109.259 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 tt -76.32 -35.35 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.104 0.409 . . . . 62.31 112.104 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -136.82 154.85 50.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.332 -0.247 . . . . 74.25 110.332 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -137.73 170.54 10.28 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.38 -0.373 . . . . 62.04 111.032 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 19.8 Cg_exo -68.47 -149.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.981 2.454 . . . . 63.4 111.343 168.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.3 p 54.06 17.45 1.41 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.186 0.594 . . . . 73.22 112.182 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.25 -54.43 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.019 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -132.25 19.59 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.26 0.553 . . . . 41.0 110.229 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.33 137.21 37.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 75.14 110.437 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -107.69 171.97 7.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.752 -179.449 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.539 HD21 HG12 ' A' ' 68' ' ' ILE . 89.2 mt -123.96 36.41 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.05 111.641 -171.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.22 129.94 37.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.154 -0.618 . . . . 65.32 109.849 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.23 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.588 . . . . 74.21 110.098 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 64.34 111.034 -179.075 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.764 -0.458 . . . . 60.44 109.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -73.28 129.42 38.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.44 -0.346 . . . . 75.41 110.434 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.798 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 37.1 t80 -59.13 -43.38 91.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.51 . . . . 62.22 111.505 -174.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -57.1 -50.16 73.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 72.24 111.108 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.14 -37.2 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 71.13 110.861 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 64.0 t80 -61.39 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.376 -0.375 . . . . 73.45 110.379 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.03 -43.11 77.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.762 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -68.51 -47.0 68.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.223 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' HG22 ' A' ' 14' ' ' VAL . 10.9 pt20 -67.5 -33.63 75.48 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.683 -0.407 . . . . 75.21 110.123 -178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 65.1 t90 -58.39 -45.66 87.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.164 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' HH ' ' HG2' ' A' ' 25' ' ' LYS . 34.5 t80 -69.65 -49.69 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.957 -0.565 . . . . 75.43 111.136 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -56.38 -40.6 74.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 73.0 111.241 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 10' ' ' GLN . 46.9 t -83.01 -26.64 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 111.98 0.363 . . . . 72.54 111.98 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 20.8 m-20 -108.29 -72.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.399 0.888 . . . . 74.03 113.399 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 69.6 mmtt -82.13 -10.19 59.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.249 0.463 . . . . 72.13 112.249 -165.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.1 tp -49.77 -57.09 13.34 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.327 0.862 . . . . 70.15 113.327 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 86.5 Cg_endo -76.92 3.32 6.68 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.061 1.841 . . . . 73.54 113.8 -173.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.57 -8.62 13.32 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.841 -0.344 . . . . 75.53 111.184 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.4 m -117.06 165.71 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.978 0.418 . . . . 72.31 111.311 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -89.02 168.61 12.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 73.43 109.975 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.672 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 28.5 mt-10 -70.45 -23.45 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.931 0.396 . . . . 72.5 110.909 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.4 p -65.01 -38.34 90.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.406 -0.59 . . . . 74.52 109.406 171.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.486 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.2 m -69.6 -32.55 71.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.715 -0.675 . . . . 74.12 110.528 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.672 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.1 mttt -54.24 -46.12 72.5 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.661 -0.496 . . . . 71.3 109.661 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -56.15 -43.05 77.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 74.52 111.757 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' HD2' ' O ' ' A' ' 23' ' ' SER . 37.0 m-70 -56.69 -47.98 78.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.97 0.414 . . . . 63.04 110.767 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.75 -40.21 79.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.553 . . . . 70.44 111.346 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.4 -42.07 92.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.142 -0.223 . . . . 74.44 111.001 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 69.7 m -61.8 -45.51 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.207 -0.294 . . . . 60.22 110.207 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.94 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.555 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -54.65 -50.48 68.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 73.24 111.802 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 30' ' ' SER . 20.4 pttp -67.03 -31.8 72.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.188 -0.205 . . . . 60.52 111.233 -176.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -73.02 -38.85 66.42 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.683 0.278 . . . . 75.44 110.93 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.9 mt -62.76 -51.3 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 74.03 110.553 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 19.9 ptmt -68.36 -26.97 65.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.771 0.32 . . . . 70.3 110.948 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.76 -45.95 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 72.32 110.854 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -86.5 -50.46 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 74.24 111.17 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.518 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 81.2 m-85 -89.67 59.99 4.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.302 0.572 . . . . 74.03 110.607 -176.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 23.8 mmt180 -55.84 111.45 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.093 -0.958 . . . . 74.12 111.209 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.25 27.43 15.18 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.508 0.505 . . . . 75.14 111.735 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.567 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 14.6 tptt -78.8 132.73 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.958 0.408 . . . . 64.3 110.749 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 91.1 mt -69.38 155.44 40.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.623 . . . . 71.34 110.365 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.798 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 5.3 tt -61.02 -40.9 95.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.229 0.538 . . . . 72.53 110.05 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HB2' ' HZ1' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.69 -1.29 57.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.62 -0.718 . . . . 72.31 111.726 -176.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 28.4 t70 -93.37 -7.13 45.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.399 0.619 . . . . 64.2 110.085 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.522 ' HB ' ' HG3' ' A' ' 92' ' ' PRO . 28.4 mm -67.76 127.74 29.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.848 -0.797 . . . . 71.15 108.848 174.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -113.24 152.48 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.913 -0.403 . . . . 74.12 109.913 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -66.09 -37.88 86.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.27 . . . . 65.4 111.509 -174.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.2 p -70.5 -29.7 66.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.091 0.472 . . . . 75.01 110.705 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.94 -38.44 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.798 -0.637 . . . . 71.44 109.959 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.27 -39.49 82.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.361 -0.836 . . . . 72.3 110.997 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -58.85 -40.81 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.518 -0.31 . . . . 74.54 110.542 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' THR . 96.9 mttt -55.51 -41.9 73.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.265 -0.425 . . . . 73.34 110.761 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CE2' HD22 ' A' ' 71' ' ' LEU . 79.1 t80 -63.43 -44.19 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 74.12 110.314 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB3' HD13 ' A' ' 68' ' ' ILE . 96.8 mt -63.55 -41.71 98.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.22 111.084 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.59 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.7 m-20 -54.91 -52.84 61.66 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.648 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.34 -38.19 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 72.33 111.207 -175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -64.87 -38.76 92.04 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.891 0.377 . . . . 75.13 110.268 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 3.91 57.17 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.753 -0.658 . . . . 42.11 112.769 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 98.5 mt -90.47 -11.51 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.34 110.715 176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -131.11 2.85 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.013 0.375 . . . . 73.35 112.013 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -137.98 166.93 22.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.627 0.251 . . . . 75.43 110.981 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -86.48 168.73 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.303 -0.408 . . . . 75.32 110.728 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 69' ' ' ARG . 75.8 t80 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 73.14 112.067 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.15 -34.96 78.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 52.55 110.081 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -62.71 -46.31 88.72 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.556 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' TYR . 14.1 tt -70.21 -33.42 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.553 -0.294 . . . . 74.21 110.701 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.836 ' HG2' HD12 ' A' ' 98' ' ' LEU . 11.2 mtm180 -59.61 -51.09 71.3 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.907 0.384 . . . . 74.55 110.667 175.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -69.86 -33.87 72.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.926 -0.579 . . . . 74.02 111.004 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 55' ' ' PHE . 24.5 tp -52.91 -55.77 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.25 0.548 . . . . 75.22 109.717 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.2 -39.32 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.169 -0.923 . . . . 73.24 110.913 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.7 m -58.79 -44.91 90.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.106 -0.497 . . . . 75.14 111.717 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -65.83 -46.91 76.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.249 0.547 . . . . 73.43 109.72 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.582 HG22 ' HZ ' ' A' ' 4' ' ' PHE . 80.3 mt -60.91 -45.31 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.212 -0.904 . . . . 71.23 111.109 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -65.07 -37.79 88.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.651 -0.25 . . . . 65.52 111.565 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.45 -38.89 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.466 -0.568 . . . . 72.14 109.466 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.12 83.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.109 -0.496 . . . . 55.01 110.993 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 91' ' ' ASN . 36.7 m-85 -63.98 -47.71 79.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.07 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.96 -38.66 89.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.118 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.46 -45.47 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.206 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -59.42 -48.67 80.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.842 -0.617 . . . . 74.44 110.233 175.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.75 -38.2 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 74.34 110.69 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -58.21 -39.38 78.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.262 -0.881 . . . . 63.54 111.788 -173.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -92.61 -36.64 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.698 -0.401 . . . . 75.23 110.624 176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.64 20.97 2.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.953 -0.641 . . . . 71.23 112.045 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.509 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 40.8 t80 -72.44 -28.62 63.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.543 . . . . 75.53 110.137 -178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.25 154.98 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 72.22 109.26 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.429 HG21 ' HG2' ' A' ' 90' ' ' LYS . 7.5 tp -75.99 -42.18 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.891 0.33 . . . . 74.14 111.891 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' HG21 ' A' ' 89' ' ' ILE . 17.4 pttm -161.39 -177.17 5.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.854 0.359 . . . . 73.23 111.201 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 18.8 p30 -117.73 147.44 41.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 62.14 111.384 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.522 ' HG3' ' HB ' ' A' ' 47' ' ' ILE . 76.4 Cg_endo -87.71 14.78 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 123.125 2.55 . . . . 74.52 112.677 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.1 p -85.54 26.56 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 70.25 111.447 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -63.7 -42.52 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.195 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -116.82 108.08 15.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 74.02 109.871 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.11 79.41 1.67 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 61.4 109.811 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -85.73 107.9 17.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.299 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.836 HD12 ' HG2' ' A' ' 69' ' ' ARG . 59.2 mt -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.512 -0.767 . . . . 74.04 110.846 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -118.82 109.14 15.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.848 -0.614 . . . . 71.04 110.407 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.49 97.64 11.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.008 -0.542 . . . . 62.1 109.901 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.579 ' HB3' HD21 ' A' ' 61' ' ' LEU . 32.0 t . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.464 0.65 . . . . 75.51 109.917 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 7' ' ' TYR . 16.5 tt . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.217 0.532 . . . . 75.01 111.461 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 1.3 p -67.32 149.23 50.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 70.34 111.093 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.795 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -55.04 39.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.987 0.422 . . . . 62.11 110.62 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -42.95 90.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.572 -0.74 . . . . 73.32 110.513 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.494 ' HB2' HG23 ' A' ' 2' ' ' ILE . 88.7 t80 -59.58 -46.98 87.32 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.037 -0.529 . . . . 75.11 110.972 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.61 -46.02 81.14 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.448 0.468 . . . . 72.25 110.81 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.77 -47.65 74.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 75.21 110.754 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -61.23 -46.79 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.317 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -55.71 -48.43 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 74.21 110.775 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.458 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.0 t80 -61.89 -54.71 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 73.15 111.307 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.722 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 28.0 tt0 -63.78 -28.76 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.414 -0.357 . . . . 71.34 111.759 -171.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.53 -28.32 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.173 -0.329 . . . . 71.41 111.707 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -111.54 -43.7 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.493 0.923 . . . . 73.41 113.493 -170.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -108.56 -14.73 14.58 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.416 0.524 . . . . 75.52 112.416 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.722 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 12.8 tp -48.33 -57.58 10.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.232 0.827 . . . . 71.2 113.232 -173.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 8.7 Cg_endo -86.21 17.51 1.74 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.514 2.143 . . . . 75.11 112.956 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.08 -0.47 9.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 73.14 110.717 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.5 m -127.33 152.36 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.398 . . . . 73.13 111.04 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -87.77 176.96 7.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 73.45 111.054 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.16 -31.37 68.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.639 -0.709 . . . . 74.22 111.756 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 p -62.84 -50.0 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.406 . . . . 71.52 110.411 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -70.3 -31.46 68.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 74.41 110.702 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 50.7 mttm -56.98 -51.54 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 65.24 110.542 175.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.96 -28.43 68.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.092 -0.504 . . . . 71.55 111.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -56.44 -51.25 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.07 0.462 . . . . 71.03 109.92 171.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.12 -40.84 95.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.797 -0.638 . . . . 74.15 111.255 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.7 -37.59 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 61.2 111.099 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.4 m -67.48 -41.58 84.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.437 . . . . 72.21 110.177 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.06 77.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.957 -0.565 . . . . 71.44 110.503 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -58.3 -42.0 85.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.578 . . . . 73.21 111.673 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -69.73 -31.78 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.447 -0.501 . . . . 71.41 111.174 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -77.48 -34.29 54.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.035 0.445 . . . . 71.24 110.674 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.05 -50.2 71.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.118 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -62.25 -28.09 69.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 73.44 110.822 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.53 -45.52 75.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 75.33 111.415 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -86.59 -44.77 11.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 64.02 111.118 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -113.14 97.63 6.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.157 -0.474 . . . . 54.14 109.73 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -91.3 -48.52 6.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.713 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -130.88 31.5 4.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 72.43 111.212 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -87.91 127.26 35.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.005 -0.543 . . . . 63.43 109.793 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 85.2 mt -63.43 157.32 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 71.33 110.578 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -54.93 -41.76 71.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.131 0.491 . . . . 71.33 110.721 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -87.66 -3.9 58.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 71.43 111.573 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.2 t70 -92.31 -13.54 30.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.032 0.444 . . . . 61.43 110.016 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.5 107.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.803 -0.635 . . . . 73.13 110.472 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.56 136.7 39.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.978 -0.555 . . . . 74.34 109.726 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.08 -28.38 70.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 74.24 111.187 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -66.72 -45.22 79.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.396 -0.365 . . . . 73.41 110.396 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.76 -31.03 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 63.35 110.562 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CE1' HG22 ' A' ' 75' ' ' ILE . 63.7 t80 -60.11 -37.89 81.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 75.23 110.016 174.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.96 -37.58 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 72.55 110.579 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.936 0.398 . . . . 75.54 110.143 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' HD22 ' A' ' 71' ' ' LEU . 74.2 t80 -57.75 -44.52 86.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.332 -0.849 . . . . 74.21 110.403 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.22 -43.09 78.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 71.34 111.253 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.602 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -60.35 -49.52 77.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.511 -0.313 . . . . 70.3 110.692 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.01 -44.63 84.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 71.44 110.173 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.63 -37.55 87.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 74.52 110.488 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.74 -1.05 82.91 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.052 -0.522 . . . . 75.12 112.931 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.9 mt -90.19 -16.92 28.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 73.04 110.165 174.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.2 p -119.99 2.53 10.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 65.14 111.93 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -139.89 160.83 39.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 75.03 111.38 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 t -80.53 169.5 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 71.11 110.231 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.1 0.408 . . . . 71.11 112.1 -173.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.42 -34.35 72.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.387 -0.525 . . . . 71.2 111.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -64.59 -44.85 89.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.496 -0.32 . . . . 74.02 110.478 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.43 HG12 HD21 ' A' ' 98' ' ' LEU . 14.7 tt -71.55 -33.18 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.679 0.276 . . . . 63.22 110.298 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -56.48 -49.9 73.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.365 -0.379 . . . . 75.21 110.514 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.79 -50.09 69.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.908 0.385 . . . . 63.24 110.597 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.595 HD22 ' CE2' ' A' ' 55' ' ' PHE . 45.9 tp -52.91 -51.63 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.506 -0.77 . . . . 75.22 110.865 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.07 -38.26 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.932 -0.576 . . . . 73.42 110.913 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -59.77 -45.98 90.58 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.268 -0.423 . . . . 64.42 110.704 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -63.99 -45.9 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 75.32 110.346 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.519 HG22 ' CE1' ' A' ' 52' ' ' TYR . 64.3 mt -63.84 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 74.01 110.878 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -56.69 -50.31 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.193 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.7 -37.13 86.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.518 -0.764 . . . . 65.24 111.206 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.95 61.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 74.24 111.281 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.444 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 31.2 m-85 -65.1 -41.64 94.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.215 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 83' ' ' ILE . 36.1 t70 -62.44 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 75.42 110.852 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.65 -42.21 87.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 54.23 110.083 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.39 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 65.33 111.362 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.8 tt -68.79 -29.4 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.772 -0.195 . . . . 54.11 110.588 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -54.96 -31.92 61.07 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.397 . . . . 75.04 110.407 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -95.49 -11.32 27.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.668 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 12.77 82.43 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.058 -0.817 . . . . 63.43 111.058 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.95 -27.57 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 72.41 110.697 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.09 159.5 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.882 -0.599 . . . . 70.43 109.605 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.53 -164.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.764 0.316 . . . . 74.22 110.86 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -53.98 124.14 14.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.354 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' ' HB3' ' A' ' 79' ' ' PHE . 93.3 m-20 -50.29 126.7 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.222 -0.899 . . . . 73.34 112.452 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 32.4 Cg_exo -60.42 -9.1 10.02 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.657 2.904 . . . . 72.43 112.928 178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.9 p -72.68 5.22 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.169 0.509 . . . . 61.44 110.457 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.414 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 56.9 t80 -51.38 -35.67 39.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.051 -0.977 . . . . 74.13 110.574 172.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HG2' ' HD2' ' A' ' 94' ' ' TYR . 74.3 mmtt -122.89 87.88 2.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.897 -0.592 . . . . 74.15 109.714 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.99 86.98 2.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.35 0.595 . . . . 73.25 111.284 -177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.68 110.65 23.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.846 -0.616 . . . . 74.53 110.475 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.43 HD21 HG12 ' A' ' 68' ' ' ILE . 80.6 mt -86.16 74.14 10.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.63 . . . . 70.23 110.12 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -98.54 82.36 2.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.971 -0.559 . . . . 74.24 110.451 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 98.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 73.05 109.276 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.5 ' HB2' HD21 ' A' ' 61' ' ' LEU . 5.1 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 70.13 111.22 -170.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.523 -0.547 . . . . 75.45 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 p -76.38 143.07 40.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.519 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.723 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 29.0 t80 -60.7 -45.76 92.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.444 -0.344 . . . . 73.43 111.808 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.49 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.029 0.443 . . . . 72.22 110.699 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -41.67 97.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 72.31 110.859 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.38 -46.91 88.2 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.623 -0.262 . . . . 73.41 110.796 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -59.77 -44.22 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.386 . . . . 75.14 110.349 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.2 -47.02 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 75.33 110.582 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.8 tt0 -60.43 -48.73 80.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.161 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.512 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.6 t90 -54.04 -52.33 61.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 72.21 110.456 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.497 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 14.6 t80 -60.13 -47.09 87.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.222 -0.445 . . . . 74.2 111.408 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.605 ' HG3' HD23 ' A' ' 17' ' ' LEU . 32.7 tt0 -63.3 -20.94 65.93 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.25 -174.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 10' ' ' GLN . 42.0 t -97.54 -33.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 70.42 111.053 176.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.3 t-20 -92.66 -53.39 4.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.742 0.645 . . . . 74.1 112.742 -164.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG3' ' HH ' ' A' ' 28' ' ' TYR . 74.2 mmtt -114.12 -9.78 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.671 -0.412 . . . . 65.11 112.028 -169.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.652 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 28.1 tp -54.24 -55.26 38.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.871 0.693 . . . . 75.15 112.871 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.8 Cg_endo -85.57 17.89 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.113 1.875 . . . . 71.2 112.971 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.1 m-70 -123.71 -46.21 2.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 73.25 111.424 -175.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 24.5 m -79.73 161.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.488 -0.324 . . . . 51.02 111.067 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 41.9 m -82.67 170.04 15.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 72.42 110.25 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 pm0 -61.03 -27.02 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.35 111.832 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 p -63.33 -51.34 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.734 0.302 . . . . 75.44 110.465 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 19.2 m -66.94 -31.35 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 55.25 110.343 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 97.3 mttt -59.16 -41.82 89.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.654 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -74.01 -28.8 61.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 72.42 111.204 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -60.85 -47.37 86.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.063 -0.347 . . . . 73.31 110.063 172.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 35.6 m-85 -61.39 -40.16 93.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.083 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -59.87 -46.05 90.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 75.05 110.713 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 45.0 m -62.47 -44.99 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.936 -0.575 . . . . 74.13 110.384 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -49.68 76.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.094 -0.503 . . . . 54.54 110.731 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.26 -39.8 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 74.41 111.895 -177.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' SER . 14.1 ptmm? -66.69 -34.93 78.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.54 -0.464 . . . . 71.24 110.577 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.19 -38.46 72.1 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.909 0.385 . . . . 75.42 110.028 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.63 -44.72 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 72.53 110.484 176.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.8 ttmm -59.41 -32.43 70.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.606 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.77 -48.31 15.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 73.43 111.92 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.89 -35.0 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.664 0.268 . . . . 71.23 110.943 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.714 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 75.4 m-85 -123.46 75.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 70.32 110.737 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 15.6 mtp180 -76.75 95.91 4.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.372 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 m170 65.16 31.25 11.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.507 -0.77 . . . . 74.35 111.133 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.714 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 43.2 tptt -78.68 132.16 36.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.328 -0.851 . . . . 61.12 109.155 173.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 96.8 mt -61.7 138.46 58.32 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.723 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.6 pt? -60.57 -31.46 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.17 0.509 . . . . 73.25 111.21 -174.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -90.59 3.42 54.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.987 -0.551 . . . . 74.12 110.952 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 19.8 t70 -102.52 -2.14 29.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.318 0.58 . . . . 73.0 109.631 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.403 HG13 ' CE1' ' A' ' 39' ' ' PHE . 1.8 mp -69.5 115.65 8.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.708 -0.678 . . . . 74.32 109.2 172.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -72.76 149.72 43.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.615 . . . . 62.34 109.674 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 92' ' ' PRO . 1.2 mpp_? -58.38 -36.15 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.348 0.594 . . . . 72.13 109.746 177.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 6.7 p -70.88 -39.12 73.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.395 -0.821 . . . . 73.43 111.298 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -62.46 -41.92 99.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.503 0.192 . . . . 75.11 111.336 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.703 ' HH ' ' HB ' ' A' ' 75' ' ' ILE . 11.3 t80 -64.79 -41.4 95.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.373 -0.376 . . . . 73.4 109.997 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -64.38 -43.61 93.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.34 109.787 177.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 50' ' ' THR . 67.7 mttm -60.31 -42.46 95.6 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.828 0.346 . . . . 75.32 110.94 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 71' ' ' LEU . 87.6 t80 -58.33 -41.12 83.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 72.41 110.37 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' A' ' 68' ' ' ILE . 95.0 mt -66.95 -37.73 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 62.44 110.642 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 9.3 m120 -60.59 -51.37 69.68 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.879 -0.415 . . . . 74.25 109.879 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.412 -0.813 . . . . 65.55 111.212 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -70.85 -35.96 72.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.542 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.53 -1.58 77.07 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.998 -0.546 . . . . 74.4 112.734 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 101' ' ' SER . 96.0 mt -90.69 -16.33 28.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 73.23 110.422 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 p -122.61 -9.42 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.514 0.561 . . . . 74.44 112.514 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -135.76 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 72.35 112.066 -173.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -80.6 168.36 18.98 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.352 -0.84 . . . . 61.0 110.768 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.94 -45.94 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.21 111.524 -174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -63.0 -33.47 75.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.38 -0.528 . . . . 73.25 110.205 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -66.18 -49.21 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.975 -0.557 . . . . 54.53 110.659 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.9 tt -67.47 -34.74 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.96 0.41 . . . . 71.42 110.454 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.08 -42.01 99.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.066 0.46 . . . . 75.44 110.426 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -71.37 -38.16 71.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 71.32 110.095 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 55' ' ' PHE . 29.5 tp -56.7 -51.67 67.89 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.987 -0.552 . . . . 61.4 110.721 173.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.414 HD22 ' NH2' ' A' ' 76' ' ' ARG . 32.7 t30 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.447 -0.797 . . . . 75.32 110.358 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -61.38 -47.98 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 52.14 110.704 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -53.41 -54.21 40.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.082 0.468 . . . . 64.22 111.04 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.703 ' HB ' ' HH ' ' A' ' 52' ' ' TYR . 73.6 mt -65.57 -36.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 73.52 110.952 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.414 ' NH2' HD22 ' A' ' 72' ' ' ASN . 13.1 ttm180 -66.18 -37.53 85.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 75.32 110.604 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -66.19 -42.05 89.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.437 -0.347 . . . . 74.42 110.302 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.95 89.99 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.115 -0.493 . . . . 55.25 110.878 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' A' ' 91' ' ' ASN . 25.2 m-85 -71.0 -30.62 66.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.731 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.37 -40.1 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.626 -0.509 . . . . 72.33 109.626 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 3.0 m-20 -69.93 -41.07 75.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.499 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.42 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 54.31 111.185 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 83' ' ' ILE . 12.6 tt -65.43 -32.5 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.091 0.472 . . . . 71.25 110.391 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.64 -29.3 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.263 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 36.6 mm-40 -99.08 -3.35 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 65.14 110.713 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.76 27.83 52.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.911 -0.661 . . . . 65.43 112.386 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.845 -0.428 . . . . 74.4 109.845 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' A' ' 45' ' ' LYS . 52.4 t -108.07 130.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.986 -0.552 . . . . 73.13 109.92 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.588 HG12 ' HG2' ' A' ' 90' ' ' LYS . 8.2 tt -67.94 -50.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.516 -178.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HG2' HG12 ' A' ' 89' ' ' ILE . 31.9 mmmt -129.18 109.78 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.731 -0.47 . . . . 44.14 109.731 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.494 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 97.2 m-20 -58.13 136.74 84.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 52.31 111.939 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.537 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 12.9 Cg_exo -72.14 12.15 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.711 2.941 . . . . 75.42 112.988 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -80.31 -12.31 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.356 0.598 . . . . 74.44 110.714 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -70.78 141.5 51.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.49 -0.777 . . . . 72.22 109.992 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm 74.62 -6.61 1.88 Allowed 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.506 0.504 . . . . 54.32 111.531 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.3 136.46 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.882 0.372 . . . . 61.4 110.713 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 45.2 mt-10 -136.07 156.8 48.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.343 -0.389 . . . . 73.03 110.892 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.38 144.83 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 75.23 109.951 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -157.53 90.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 74.44 110.596 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.71 99.28 10.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.364 -0.606 . . . . 62.21 109.364 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.575 ' HB3' HD21 ' A' ' 61' ' ' LEU . 18.1 t . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 121.183 0.516 . . . . 75.14 111.039 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.235 0.32 0 CA-C-O 121.259 0.552 . . . . 72.12 111.201 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.5 p -82.37 141.52 32.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 75.3 110.071 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.36 -46.42 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.315 0.385 . . . . 73.42 111.983 -174.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.55 -55.26 36.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.038 0.447 . . . . 74.51 111.225 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.25 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 74.21 111.114 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -65.84 -46.24 79.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 74.12 110.392 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.28 -45.59 87.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.868 -0.605 . . . . 72.42 110.455 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.73 -47.38 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.899 -0.591 . . . . 73.33 110.732 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -47.38 84.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.273 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.509 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.1 t90 -55.03 -39.29 68.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.601 . . . . 72.55 110.918 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 20.2 t80 -73.63 -53.48 10.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.307 -0.406 . . . . 75.34 111.27 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HG3' HD23 ' A' ' 17' ' ' LEU . 40.8 tt0 -61.24 -38.1 85.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.951 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -83.82 -18.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.838 0.351 . . . . 71.45 111.475 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 85.8 m-20 -116.31 -68.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.763 0.653 . . . . 63.21 112.763 -173.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 70.6 mmtt -86.2 -17.99 33.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.33 0.493 . . . . 73.55 112.33 -165.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 13' ' ' GLU . 26.3 tp -55.61 -55.04 44.79 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 112.998 0.74 . . . . 73.22 112.998 -174.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.3 Cg_endo -64.8 -6.1 11.84 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.651 2.234 . . . . 75.22 114.367 -173.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -103.67 -13.25 16.57 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.013 -0.275 . . . . 62.04 111.434 -174.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 21.3 m -119.62 179.13 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 74.24 111.553 -174.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -120.9 -177.42 3.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 74.41 109.827 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 78.8 mm-40 -49.44 -36.44 22.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 72.12 112.14 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -57.08 -43.94 82.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 73.12 111.418 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.466 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 27.8 m -80.68 -31.35 36.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 73.03 110.493 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HG2' ' HH ' ' A' ' 12' ' ' TYR . 10.4 mtpm? -56.94 -41.41 78.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.071 -0.513 . . . . 70.45 110.706 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 49.3 mtt180 -54.3 -45.9 72.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.374 -0.376 . . . . 73.22 110.823 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.29 -49.33 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 72.4 110.929 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -61.69 -46.84 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.469 -0.332 . . . . 71.4 111.746 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.72 -48.35 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 63.02 111.72 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 p -68.23 -31.25 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.89 -0.324 . . . . 64.33 110.995 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -66.46 -50.57 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 73.14 109.995 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -58.05 -35.91 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.58 -0.736 . . . . 75.42 110.741 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -66.21 -43.61 86.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.396 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.01 -37.1 86.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.845 0.355 . . . . 65.14 110.707 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.3 mt -62.51 -50.77 78.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 73.12 110.291 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.1 -28.22 69.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 71.55 110.582 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.08 -41.39 77.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.92 -0.582 . . . . 64.43 111.176 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -87.53 -39.83 14.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 73.41 111.455 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.525 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 61.5 m-85 -122.74 92.29 3.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 73.54 109.577 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -76.22 -52.63 9.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.169 0.509 . . . . 73.52 110.815 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.27 23.34 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.424 0.631 . . . . 75.42 110.054 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 13.9 tptp -67.82 126.06 28.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.094 -0.957 . . . . 72.14 109.512 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 82.3 mt -62.94 146.6 52.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 71.12 110.763 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -53.5 -43.77 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.552 0.532 . . . . 75.34 111.458 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -79.28 -4.42 50.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 65.12 111.722 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.7 t70 -100.76 -7.56 23.6 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.104 -0.238 . . . . 65.33 111.133 -172.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.26 110.81 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.309 0.576 . . . . 74.22 109.542 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 55.1 mtpt -83.0 145.58 29.25 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.763 -0.653 . . . . 65.44 109.949 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.681 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 22.6 mtt180 -61.9 -30.76 71.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 70.11 110.695 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -28.49 65.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 62.13 110.795 177.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 41.1 mt-10 -76.05 -46.04 31.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.04 0.447 . . . . 72.34 109.897 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.479 ' HH ' HG13 ' A' ' 75' ' ' ILE . 28.9 t80 -60.99 -35.48 76.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.445 -0.798 . . . . 72.51 110.763 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -53.32 55.17 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.575 -0.528 . . . . 64.34 109.575 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.92 -40.85 90.27 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.356 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CE2' HD23 ' A' ' 71' ' ' LEU . 74.1 t80 -55.15 -45.4 75.65 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.044 -0.526 . . . . 62.43 111.47 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.42 -33.3 67.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 64.13 111.314 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.574 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -59.28 -51.34 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 73.22 110.558 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.19 -31.6 71.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 73.41 110.848 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -73.69 -35.35 65.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 75.01 109.916 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.66 -2.81 90.13 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.856 -0.611 . . . . 75.41 112.638 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 101' ' ' SER . 92.1 mt -90.55 -17.27 27.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 75.03 110.409 174.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 p -118.27 -32.76 4.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 64.05 112.346 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.29 154.59 24.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.932 0.396 . . . . 75.12 111.455 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 m -64.8 163.72 13.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.716 -0.675 . . . . 71.25 111.199 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -60.43 -44.34 95.88 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.425 -0.352 . . . . 74.43 111.544 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.34 -30.32 71.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.894 0.378 . . . . 53.22 110.325 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -70.53 -46.72 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 74.22 110.672 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.06 -33.92 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.817 0.341 . . . . 74.15 110.423 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -58.83 -50.07 75.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 62.12 111.158 177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.78 -35.58 78.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.67 -0.412 . . . . 62.32 110.1 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.772 HD12 ' HB2' ' A' ' 31' ' ' ALA . 47.6 tp -59.24 -49.46 77.77 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.576 -0.284 . . . . 73.15 110.348 176.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HB2' HD21 ' A' ' 98' ' ' LEU . 24.4 t30 -51.72 -44.61 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 71.42 110.338 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -44.41 97.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 61.12 110.674 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -62.07 -44.61 96.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.285 -0.265 . . . . 74.22 110.285 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.5 mm -58.8 -48.49 86.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.357 178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.564 ' HG2' HG21 ' A' ' 93' ' ' THR . 77.2 mtp180 -59.13 -49.2 78.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 62.21 110.82 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.14 -40.43 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.279 . . . . 50.42 111.582 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.71 86.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.311 . . . . 70.43 111.063 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 83' ' ' ILE . 32.9 m-85 -71.19 -37.96 72.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.528 -0.305 . . . . 74.33 111.19 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.89 -35.43 80.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 72.33 110.377 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -48.89 79.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 73.23 109.321 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.07 82.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.358 -0.837 . . . . 74.1 111.005 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 79' ' ' PHE . 18.7 mm -59.56 -47.38 91.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 74.43 110.653 175.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.76 -38.65 91.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.66 -0.7 . . . . 74.52 110.976 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -78.9 -15.49 58.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.831 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.41 26.72 46.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.124 -0.56 . . . . 36.44 111.779 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -92.26 -28.25 17.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.79 0.329 . . . . 72.32 111.388 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.3 151.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.741 -0.466 . . . . 62.05 109.741 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.8 tt -74.07 -49.61 32.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.527 0.566 . . . . 63.12 112.527 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -153.15 154.94 35.77 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.693 0.282 . . . . 73.01 111.317 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -74.08 135.43 76.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 73.21 110.109 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.681 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 Cg_endo -76.7 0.44 9.58 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 45.1 111.857 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.564 HG21 ' HG2' ' A' ' 76' ' ' ARG . 13.5 p -73.4 86.8 1.52 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.446 0.641 . . . . 73.33 110.316 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.452 ' HB2' ' HD3' ' A' ' 49' ' ' ARG . 78.8 t80 -117.83 -65.31 1.19 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.128 -0.942 . . . . 74.55 109.403 -177.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -112.08 34.47 4.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.179 -0.919 . . . . 74.23 109.447 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.84 79.99 8.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.258 -0.883 . . . . 71.21 110.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.16 134.03 44.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.763 -0.653 . . . . 65.42 110.372 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.6 mt -85.03 114.72 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 65.03 110.706 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -142.65 104.0 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.142 -0.481 . . . . 73.12 109.993 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.45 119.95 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.851 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.63 ' HB2' HD21 ' A' ' 61' ' ' LEU . 53.6 m . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 121.302 0.572 . . . . 53.51 110.321 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.0 tt . . . . . 0 C--O 1.235 0.325 0 N-CA-C 109.416 -0.587 . . . . 75.33 109.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.31 133.99 51.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.547 0.213 . . . . 74.32 110.608 176.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.618 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 30.5 t80 -61.89 -36.44 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 71.33 111.431 -175.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 71.34 110.584 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.21 -38.81 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 61.31 110.639 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.85 -48.08 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 73.41 110.97 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.22 -49.01 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.03 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.55 -42.45 87.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 72.23 110.978 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.28 -46.45 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.293 . . . . 74.2 110.253 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -54.72 -46.38 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 74.1 110.179 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 6.2 t80 -60.03 -49.17 78.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 74.24 111.276 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.707 ' HG3' HD23 ' A' ' 17' ' ' LEU . 31.6 tt0 -70.13 -10.28 58.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.098 0.475 . . . . 74.51 111.243 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.14 -26.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.381 . . . . 52.53 111.589 176.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -110.95 -33.3 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.55 0.945 . . . . 74.13 113.55 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.9 mmtt -117.23 -22.78 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.229 0.455 . . . . 71.1 112.229 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.78 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 18.3 tp -47.94 -59.22 6.13 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.485 0.92 . . . . 54.42 113.485 -169.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 13.4 Cg_endo -91.0 19.51 1.11 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.371 2.047 . . . . 63.21 112.802 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 94.1 m-70 -121.62 -50.51 2.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 74.32 111.436 -174.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 16' ' ' LYS . 21.9 m -81.2 164.46 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 72.15 111.036 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -72.79 160.15 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.507 -0.315 . . . . 64.01 110.526 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 42.3 mt-10 -69.96 -23.39 63.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 54.45 110.286 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -61.83 -43.23 99.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.986 -0.746 . . . . 75.2 108.986 171.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.56 HG22 ' HE2' ' A' ' 28' ' ' TYR . 63.3 m -66.33 -36.95 84.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.541 -0.754 . . . . 74.34 110.511 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.7 mttt -55.87 -37.01 68.23 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.67 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.82 -33.69 76.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 64.15 110.686 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -68.87 -36.97 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.45 110.116 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.56 ' HE2' HG22 ' A' ' 24' ' ' THR . 62.3 m-85 -65.78 -38.21 88.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 73.04 110.73 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.34 -50.97 71.26 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.145 -0.317 . . . . 74.12 110.145 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 t -61.0 -44.47 97.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 74.22 110.602 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.87 -56.13 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.87 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.05 -42.65 90.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.599 -0.728 . . . . 73.23 112.011 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -69.6 -34.11 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.792 -0.363 . . . . 75.4 111.335 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -75.75 -35.86 60.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 63.13 110.481 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.1 mt -62.38 -51.09 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 72.22 110.635 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.2 ptmt -69.1 -26.99 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 44.15 110.711 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.23 -47.74 84.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.03 -0.532 . . . . 74.12 110.909 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -84.84 -51.19 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.285 -0.416 . . . . 72.14 111.25 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.64 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m-85 -92.55 52.07 1.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.423 . . . . 74.23 111.196 -174.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 36' ' ' LYS . 13.6 mtm180 -60.9 108.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.887 -0.597 . . . . 72.41 111.189 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.29 25.22 14.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.424 -0.807 . . . . 74.02 111.643 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 2.0 tpmt? -84.42 127.96 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.191 -0.459 . . . . 72.25 109.975 176.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.37 153.45 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.03 111.387 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 tp -53.97 -45.12 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.502 -0.772 . . . . 74.21 112.155 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -82.78 -7.86 59.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.563 -0.29 . . . . 74.22 111.587 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.51 6.33 45.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.144 0.497 . . . . 72.3 110.549 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HG2' ' A' ' 42' ' ' LYS . 47.1 mm -68.71 114.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.992 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.55 126.43 30.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 64.04 109.436 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -63.19 -31.69 72.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 70.04 111.036 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -70.63 -40.41 73.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.586 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 75.35 109.933 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE1' HG22 ' A' ' 75' ' ' ILE . 53.7 t80 -64.63 -43.51 93.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 71.41 110.962 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.32 -46.39 80.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.994 0.426 . . . . 64.32 110.078 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -56.96 -40.17 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 55.2 110.7 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CE2' HD22 ' A' ' 71' ' ' LEU . 76.5 t80 -55.24 -48.25 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 75.51 110.631 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.36 -44.32 88.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 72.12 110.602 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.817 ' HA ' ' HB3' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -57.9 -42.55 84.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 51.3 111.24 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -71.65 -42.76 67.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.492 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.99 -39.91 83.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 74.15 111.028 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 99' ' ' HIS . . . -81.56 4.73 71.99 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.058 -0.592 . . . . 72.41 113.079 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.0 mt -91.14 -8.53 48.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 73.44 110.393 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 p -135.85 5.57 3.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.012 -0.54 . . . . 70.13 111.644 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -138.98 156.25 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.655 0.264 . . . . 71.31 111.035 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -69.45 157.63 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.808 -0.633 . . . . 73.25 110.577 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.434 ' HA ' HG23 ' A' ' 68' ' ' ILE . 89.8 t80 -59.79 -38.51 82.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 72.11 111.013 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.47 -35.66 81.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.115 0.483 . . . . 72.23 110.27 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 m -70.73 -45.11 65.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.729 -0.669 . . . . 72.41 110.95 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' A' ' 65' ' ' TYR . 7.1 tt -69.35 -34.89 64.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.842 0.353 . . . . 74.32 110.813 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.46 -44.64 90.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.037 0.446 . . . . 75.3 110.028 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.497 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.7 ttmt -61.75 -45.01 95.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.458 -0.792 . . . . 73.34 109.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.446 HD22 ' CE2' ' A' ' 55' ' ' PHE . 23.4 tp -53.87 -56.16 20.17 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.583 -0.735 . . . . 73.11 111.298 172.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.98 -44.73 60.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.029 -0.532 . . . . 71.15 111.335 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.1 m -59.48 -41.28 89.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 74.31 111.037 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 21.2 m-85 -62.89 -54.42 38.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 54.41 110.882 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.618 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 46.4 mt -63.78 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.85 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.51 -43.52 93.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.473 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 77' ' ' ASN . 3.7 m120 -67.94 -33.97 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 73.12 111.222 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.41 71.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 65.22 111.027 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.422 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 23.0 m-85 -67.82 -37.53 82.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.439 -0.346 . . . . 74.42 110.943 177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.95 -38.25 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 65.45 110.557 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.53 -40.64 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.86 0.362 . . . . 73.12 110.29 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 72.34 111.274 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 90' ' ' LYS . 12.0 tt -73.12 -32.79 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.871 0.367 . . . . 71.24 110.568 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -63.9 -30.01 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.357 0.599 . . . . 75.34 110.131 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.7 -24.57 38.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 75.12 110.213 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.5 26.18 57.42 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.418 -1.073 . . . . 62.14 110.418 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -99.23 0.1 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.864 -0.668 . . . . 72.12 110.899 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.675 HG23 ' H ' ' A' ' 89' ' ' ILE . 5.6 p -156.12 -179.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.934 -0.395 . . . . 52.22 109.934 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.675 ' H ' HG23 ' A' ' 88' ' ' VAL . 28.3 pt -71.96 -168.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.285 . . . . 61.15 111.051 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.677 ' HA ' HD11 ' A' ' 83' ' ' ILE . 19.6 pttp -83.13 39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.011 0.434 . . . . 73.42 111.867 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 84.8 m-20 70.1 131.2 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 115.074 -0.966 . . . . 74.31 113.39 173.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 5.8 Cg_exo -79.81 -4.68 13.55 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.604 2.869 . . . . 71.04 110.943 170.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.46 HG21 ' HE2' ' A' ' 52' ' ' TYR . 1.9 m -79.13 34.65 0.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.391 -0.822 . . . . 63.1 110.531 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.419 ' H ' ' C ' ' A' ' 92' ' ' PRO . 89.6 t80 -71.44 -62.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 63.22 111.07 -177.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -108.95 42.89 1.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.565 0.697 . . . . 74.31 110.62 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.44 97.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 63.52 110.973 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.11 149.28 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.093 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.9 mt -88.28 102.0 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 74.4 110.369 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.817 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . 54.4 t-80 -101.99 96.42 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.674 . . . . 74.43 110.451 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -120.98 108.13 13.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.391 -178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.657 -178.362 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 C--O 1.242 0.7 0 CA-C-O 121.754 0.788 . . . . 73.35 112.07 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -73.05 145.92 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.845 -1.071 . . . . 75.15 110.54 174.045 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -65.49 -38.32 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.817 0.303 . . . . 74.25 111.817 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.35 -56.1 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 62.45 110.743 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.08 -39.84 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 74.43 110.67 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 71.9 t80 -60.68 -45.1 95.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.622 . . . . 71.41 111.193 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.29 -47.37 86.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 72.0 111.478 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.481 ' HE1' ' HG2' ' A' ' 29' ' ' GLU . 50.6 t80 -67.92 -42.36 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.521 -0.472 . . . . 71.42 110.949 -176.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 4.8 pp0? -69.47 -35.18 75.36 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.523 -0.471 . . . . 73.22 109.918 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.54 -43.07 84.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.282 0.563 . . . . 74.41 109.734 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 32.9 t80 -67.96 -56.48 8.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.365 -0.834 . . . . 70.1 110.611 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.715 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.6 tm-20 -56.89 -41.92 78.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.064 -0.516 . . . . 73.42 111.844 -174.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.94 -33.71 56.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 72.02 111.891 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -106.79 -65.68 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.457 -0.497 . . . . 70.44 111.71 -172.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -96.16 94.69 7.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.731 -0.47 . . . . 71.4 109.731 -177.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.715 HD21 ' HG2' ' A' ' 13' ' ' GLU . 16.0 tp -150.0 -59.67 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.406 -0.517 . . . . 63.4 111.575 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 52.7 Cg_endo -70.29 -17.42 35.16 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.681 1.588 . . . . 75.13 112.169 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -91.85 -9.17 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 74.03 110.603 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.36 171.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.101 -0.499 . . . . 64.54 110.427 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -111.76 171.17 7.65 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.892 -0.41 . . . . 52.54 109.892 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 45.2 mt-10 -62.35 -23.24 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.26 0.467 . . . . 60.1 112.26 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t -60.09 -39.9 87.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 70.02 109.704 172.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 m -75.64 -38.42 58.89 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.087 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 22' ' ' GLU . 25.2 mtpt -56.3 -36.82 69.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.266 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.5 tpt180 -56.29 -37.44 69.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.323 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.79 -47.02 56.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 74.24 110.722 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -64.36 -42.74 96.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 74.51 110.846 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.69 -40.48 84.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.565 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.4 t -51.39 -48.38 62.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.586 -0.524 . . . . 72.21 109.586 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -57.41 -51.43 69.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.48 -0.782 . . . . 74.01 110.34 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.66 -44.01 80.92 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.9 -0.591 . . . . 73.3 112.401 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.73 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 24.5 mmmt -61.42 -45.12 95.67 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.882 -0.414 . . . . 64.41 109.882 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.49 -32.08 65.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.855 -0.611 . . . . 65.14 110.627 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -64.32 -48.59 84.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 109.854 -0.424 . . . . 62.13 109.854 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HB3' ' HE3' ' A' ' 36' ' ' LYS . 23.1 ttpp -62.72 -28.38 69.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 73.05 110.736 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.09 -46.71 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 71.43 111.455 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -86.77 -27.01 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 72.04 111.169 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.885 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 59.4 m-85 -126.74 83.04 2.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 74.25 110.224 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -77.1 -65.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.934 -0.765 . . . . 75.43 108.934 176.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.425 ' HA ' HG22 ' A' ' 3' ' ' THR . 28.7 m-70 -121.05 82.43 1.92 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.284 -0.871 . . . . 74.22 110.266 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.885 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 14.1 ttmm -139.27 107.72 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.414 -1.266 . . . . 51.23 108.494 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -56.44 151.73 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.498 -0.774 . . . . 74.31 110.353 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.616 ' HG ' HG12 ' A' ' 88' ' ' VAL . 2.7 pt? -71.21 -6.06 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.169 -0.612 . . . . 71.33 111.113 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -93.75 -8.62 40.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 75.02 110.243 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.93 -32.2 13.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.388 -0.597 . . . . 75.33 109.388 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.8 mt -70.78 134.96 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.045 -0.98 . . . . 73.22 110.24 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.865 ' HG2' ' HG2' ' A' ' 51' ' ' GLU . 13.8 ptpt -139.58 -174.47 3.9 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.469 -0.787 . . . . 73.53 109.02 -177.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.583 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 11.6 ptt180 -58.01 -37.09 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.953 0.353 . . . . 71.53 111.953 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.5 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 70.4 p -71.3 -36.61 71.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 62.24 110.7 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.865 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 15.0 mm-40 -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.378 0.608 . . . . 73.43 109.98 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.463 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 10.0 t80 -69.67 -39.29 77.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.167 -0.924 . . . . 65.21 110.204 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.56 -39.21 79.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.709 -0.678 . . . . 75.31 110.916 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 50' ' ' THR . 63.2 mttm -56.18 -51.87 66.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.305 0.574 . . . . 75.4 110.194 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CE2' HD21 ' A' ' 71' ' ' LEU . 61.8 t80 -62.23 -44.55 96.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.929 -1.032 . . . . 74.2 111.014 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.83 -44.67 96.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.369 -0.378 . . . . 73.42 111.252 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.0 m-20 -60.63 -50.62 72.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 73.43 111.567 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.15 -30.4 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 72.3 111.368 -176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.92 -38.93 44.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 74.13 110.77 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' ALA . . . -70.03 -26.37 74.39 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.096 -0.502 . . . . 53.34 112.952 -177.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 89.8 mt -78.51 -7.76 57.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.607 -0.349 . . . . 70.52 111.324 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 p -124.15 4.2 8.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.915 0.339 . . . . 74.13 111.915 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -143.52 165.15 28.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.709 0.29 . . . . 74.15 111.168 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -71.28 159.61 34.29 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.251 -0.432 . . . . 73.22 110.939 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.29 -41.38 84.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.994 -0.548 . . . . 74.33 111.522 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG3' HH21 ' A' ' 69' ' ' ARG . 39.9 tt0 -71.3 -31.42 67.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.099 -0.64 . . . . 62.43 110.554 -177.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 m -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.04 0.448 . . . . 71.12 110.328 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.428 HG12 HD21 ' A' ' 98' ' ' LEU . 13.4 tt -73.84 -33.18 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.492 . . . . 73.53 110.673 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.436 HH21 ' HG3' ' A' ' 66' ' ' GLU . 51.6 ttp85 -62.6 -45.81 91.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.735 0.303 . . . . 71.34 111.143 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HZ3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -69.94 -33.89 72.73 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.963 -0.384 . . . . 74.03 109.963 179.39 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' A' ' 55' ' ' PHE . 18.1 tp -56.37 -49.34 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 74.53 110.618 172.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.463 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.8 t30 -55.25 -40.63 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.453 -0.794 . . . . 74.54 110.921 178.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -64.71 -38.68 91.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 72.54 110.907 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -67.06 -48.99 66.58 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.84 0.352 . . . . 73.22 110.747 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.44 HD13 ' HE1' ' A' ' 52' ' ' TYR . 64.3 mt -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 70.25 111.084 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HA ' HG21 ' A' ' 93' ' ' THR . 93.7 mtt180 -63.88 -40.69 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.281 . . . . 75.24 110.711 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -40.61 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.331 . . . . 61.13 110.432 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.12 94.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 72.24 111.588 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -74.27 -31.47 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 74.24 111.363 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.07 -39.26 94.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.84 -0.43 . . . . 73.05 109.84 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 7.1 m-20 -62.93 -47.56 82.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.495 -0.32 . . . . 70.4 110.247 172.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 88' ' ' VAL . . . -55.63 -49.23 73.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 51.42 111.449 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.4 tt -70.14 -32.46 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 74.32 110.772 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -72.68 -25.87 61.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.956 -0.565 . . . . 74.23 110.404 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 10.8 mm-40 -94.49 0.54 55.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 71.55 111.384 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.72 27.16 73.63 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.524 -0.846 . . . . 73.21 111.186 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.13 -52.93 7.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.955 -0.758 . . . . 73.32 108.955 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.616 HG12 ' HG ' ' A' ' 44' ' ' LEU . 31.0 m -140.84 163.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.158 -0.928 . . . . 75.43 108.85 173.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.7 tt -125.55 70.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.084 0.945 . . . . 74.45 110.527 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -147.75 147.87 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.275 -0.875 . . . . 64.25 111.035 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.52 85.91 48.58 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.742 -0.663 . . . . 64.43 109.889 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' A' ' 48' ' ' LYS . 71.7 Cg_endo -75.29 -1.81 11.76 Favored 'Trans proline' 0 CA--C 1.52 -0.191 0 C-N-CA 123.004 2.47 . . . . 72.3 111.78 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 76' ' ' ARG . 9.9 p -84.95 7.49 20.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.269 -0.878 . . . . 72.25 111.509 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.489 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 63.9 t80 -85.31 159.46 20.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.864 -0.791 . . . . 73.02 108.864 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HG2' ' HD2' ' A' ' 49' ' ' ARG . 32.6 mmmt 68.22 18.87 9.21 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.677 0.391 . . . . 75.3 110.138 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.82 131.2 50.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.515 -0.766 . . . . 71.14 111.232 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.31 106.35 4.74 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.656 -0.702 . . . . 75.25 109.665 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.428 HD21 HG12 ' A' ' 68' ' ' ILE . 69.3 mt -79.57 72.1 6.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.632 0.729 . . . . 74.42 109.354 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.62 61.63 3.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.821 -1.082 . . . . 73.52 110.521 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.11 88.85 7.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.79 -0.641 . . . . 72.25 110.758 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.566 0.698 . . . . 74.44 109.227 176.322 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' SD ' HD12 ' A' ' 43' ' ' LEU . 38.7 ttm . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.741 -0.466 . . . . 71.05 109.741 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt -86.86 147.06 5.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.2 0.524 . . . . 63.41 111.399 -173.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 49.5 p -77.38 161.34 28.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.797 -0.638 . . . . 73.45 110.833 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.61 -40.6 95.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 73.03 110.871 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.1 -56.55 19.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.036 0.446 . . . . 64.03 111.319 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.99 -34.24 77.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.518 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.05 -43.03 93.64 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.3 110.6 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.73 -45.87 81.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 73.45 110.457 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -67.76 -43.08 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.557 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.29 -51.01 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 73.44 110.491 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -52.92 -44.79 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.66 -0.7 . . . . 74.35 110.628 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.535 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 21.5 t80 -62.17 -57.95 9.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.72 -0.673 . . . . 63.33 111.032 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 tt0 -59.81 -34.75 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.686 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.41 -31.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 71.22 111.924 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -111.17 -58.05 2.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.452 0.538 . . . . 62.1 112.452 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 73.6 mmtt -86.83 -24.81 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.772 0.286 . . . . 73.52 111.772 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 19.8 tp -50.9 -53.79 43.92 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.917 0.71 . . . . 74.32 112.917 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.5 Cg_endo -64.81 -10.2 24.11 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.122 1.881 . . . . 71.11 113.656 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -104.35 -11.86 16.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.886 0.375 . . . . 61.13 110.941 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' ' 24' ' ' THR . 33.8 m -116.64 -178.99 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.065 0.46 . . . . 70.3 111.579 -174.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -120.59 177.89 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.997 -0.547 . . . . 64.31 110.278 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.61 -30.22 71.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.37 . . . . 72.03 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -60.56 -33.39 72.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.241 0.543 . . . . 71.25 109.75 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.445 ' CB ' ' HB ' ' A' ' 20' ' ' VAL . 1.6 m -80.48 -33.82 36.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.436 -0.802 . . . . 73.03 110.246 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.618 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 9.4 mtpm? -56.85 -47.52 80.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.968 -0.56 . . . . 75.21 111.216 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -62.66 -29.34 70.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.527 -0.306 . . . . 71.2 111.187 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' ' HZ1' ' A' ' 70' ' ' LYS . 53.0 m-70 -65.84 -52.21 52.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.89 0.376 . . . . 74.13 110.166 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' HE1' HG23 ' A' ' 24' ' ' THR . 46.3 m-85 -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.575 . . . . 74.23 111.245 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.6 -35.86 79.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.687 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -66.57 -40.04 88.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.195 0.521 . . . . 71.45 109.913 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.789 ' HB3' HD12 ' A' ' 71' ' ' LEU . . . -62.98 -46.4 87.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.705 -0.679 . . . . 74.41 109.89 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -56.03 -38.34 70.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.216 -0.902 . . . . 74.13 111.305 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 95.5 mttt -61.73 -43.17 99.37 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 120.791 0.329 . . . . 75.14 111.288 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -71.63 -34.08 69.5 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.227 -0.589 . . . . 74.1 110.32 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.19 -51.02 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.863 -0.608 . . . . 70.43 110.702 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 19.7 ptmt -65.88 -26.9 67.84 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 120.748 0.308 . . . . 73.11 110.895 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.87 -49.28 78.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 75.35 111.056 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -87.16 -49.27 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 73.13 111.248 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 44.5 m-85 -101.3 77.37 1.79 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.073 -0.512 . . . . 72.22 110.091 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 86.0 mtt180 -82.73 -67.29 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.625 -0.716 . . . . 74.43 111.0 -174.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -102.09 18.31 21.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.827 0.822 . . . . 71.02 109.091 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.668 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 51.8 tptt -80.43 114.35 19.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.455 -1.248 . . . . 71.11 110.137 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 92.6 mt -67.6 151.0 48.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.832 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.55 -35.1 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.821 -0.627 . . . . 64.1 111.952 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HA ' HG21 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -92.66 8.86 37.31 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.405 0.52 . . . . 65.35 112.405 -171.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.23 -1.23 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.831 -0.348 . . . . 63.45 111.422 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.447 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 17.8 mm -64.89 119.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.705 0.288 . . . . 75.03 111.066 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.69 149.76 22.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.681 -0.488 . . . . 64.23 109.681 173.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -70.21 -23.16 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.289 . . . . 74.33 111.261 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 17.2 p -69.57 -44.66 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.514 -0.312 . . . . 63.13 111.105 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 16.0 pt-20 -74.88 -30.58 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 64.12 110.293 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.577 ' HE1' HG21 ' A' ' 75' ' ' ILE . 78.7 t80 -61.28 -39.89 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.289 0.566 . . . . 74.44 109.737 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -43.57 98.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.333 -0.849 . . . . 73.31 109.444 176.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 50' ' ' THR . 66.1 mmtt -65.99 -33.61 76.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.968 -0.56 . . . . 37.47 110.637 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.548 ' CE2' HD22 ' A' ' 71' ' ' LEU . 63.6 t80 -61.5 -44.69 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.608 -0.724 . . . . 70.33 110.536 176.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.31 -39.46 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 64.34 111.412 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.15 -42.57 91.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 71.13 110.858 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -71.51 -38.16 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.954 -0.567 . . . . 74.12 110.385 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.07 -35.07 77.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.27 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -73.44 -5.51 67.77 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.741 -0.663 . . . . 54.55 112.766 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 101' ' ' SER . 83.5 mt -90.28 -21.04 22.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.962 0.41 . . . . 64.2 110.573 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 p -110.63 -16.49 13.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 75.42 112.209 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.409 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.8 m80 -136.14 162.65 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.149 -0.344 . . . . 74.05 111.23 -174.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.8 m -78.56 174.86 10.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 73.35 111.302 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' HA ' HG23 ' A' ' 68' ' ' ILE . 67.3 t80 -61.32 -45.39 94.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.244 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 30.1 tt0 -60.12 -34.42 73.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.929 0.395 . . . . 75.12 110.347 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 1.5 m -72.13 -44.43 63.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.826 -0.625 . . . . 73.21 111.123 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.413 HG23 ' HA ' ' A' ' 65' ' ' TYR . 13.2 tt -73.57 -34.48 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 73.35 110.85 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -62.99 -48.81 77.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 73.43 110.88 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.7 ptpt -66.11 -35.77 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.731 -0.387 . . . . 75.34 110.261 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 31' ' ' ALA . 24.2 tp -54.98 -48.92 72.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.392 . . . . 62.41 110.298 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.426 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.5 t30 -56.59 -47.26 79.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 74.34 111.012 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 p -64.05 -31.91 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.997 -0.281 . . . . 72.25 111.531 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -67.35 -49.97 61.85 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.629 -0.508 . . . . 74.4 109.629 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 ' HE1' ' A' ' 52' ' ' TYR . 73.9 mt -62.37 -43.64 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.604 -0.726 . . . . 74.42 110.67 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -57.53 -45.22 85.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.524 . . . . 73.44 110.847 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -70.72 -31.58 68.47 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.698 -0.228 . . . . 75.35 111.282 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.72 92.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.877 0.37 . . . . 65.53 110.48 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.447 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 62.7 m-85 -72.91 -35.0 66.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.868 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' O ' HG21 ' A' ' 83' ' ' ILE . 25.5 t70 -63.55 -39.65 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 73.01 110.541 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 16.0 t70 -68.54 -49.52 58.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 74.13 109.944 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.41 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.858 -0.61 . . . . 75.21 111.724 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.41 HG21 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -71.76 -32.12 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 60.43 109.84 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.74 -36.3 83.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.619 -0.719 . . . . 74.24 109.909 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.2 mm-40 -86.83 -7.68 58.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.452 -0.795 . . . . 73.3 110.567 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.82 29.04 36.17 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.839 -0.619 . . . . 71.42 112.154 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -103.07 -48.97 3.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.602 0.239 . . . . 73.4 111.284 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 HG21 ' HA ' ' A' ' 45' ' ' LYS . 3.7 p -99.99 155.62 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.683 -0.407 . . . . 54.34 110.113 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 tt -131.1 -27.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.329 -0.396 . . . . 71.21 111.151 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -101.83 114.82 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.721 0.296 . . . . 74.33 110.938 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -105.38 107.65 59.6 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.202 -0.666 . . . . 73.34 109.202 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.18 13.68 2.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.002 2.468 . . . . 75.43 113.238 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -75.45 2.35 11.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.482 0.549 . . . . 73.23 112.482 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.01 -41.36 91.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.077 0.465 . . . . 72.44 110.525 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 mmtp -106.97 41.97 1.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 44.23 110.774 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.89 63.66 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.819 -0.628 . . . . 71.23 110.615 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.942 ' HB3' ' HD2' ' A' ' 99' ' ' HIS . 34.8 mt-10 -75.57 112.31 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.566 -0.743 . . . . 71.23 111.242 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.3 mt -80.89 65.62 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.847 -0.615 . . . . 71.12 110.744 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.942 ' HD2' ' HB3' ' A' ' 97' ' ' GLU . 42.4 m-70 -93.67 85.9 5.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 74.4 111.29 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.44 92.2 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.602 -0.888 . . . . 37.47 108.602 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.657 ' HA ' ' HB2' ' A' ' 104' ' ' GLU . 19.9 m -70.7 -10.85 60.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.795 -0.639 . . . . 62.45 111.23 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 60' ' ' GLY . 24.7 t -60.69 -33.87 56.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.553 -0.536 . . . . 71.11 109.553 171.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.2 mt -130.52 33.85 4.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 75.42 110.647 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.657 ' HB2' ' HA ' ' A' ' 101' ' ' SER . 9.8 tp10 -62.8 95.29 0.07 Allowed 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.896 -0.779 . . . . 73.12 108.896 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -87.73 118.11 27.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.43 111.758 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.447 ' HD2' ' HG3' ' A' ' 104' ' ' GLU . 79.9 m-70 -134.57 -165.64 1.69 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.081 -1.081 . . . . 53.03 108.081 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -113.49 94.29 4.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.84 0.828 . . . . 75.22 110.664 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -97.75 71.08 2.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.258 -0.883 . . . . 62.44 109.488 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -131.32 142.39 50.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 74.35 110.539 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.6 p80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.631 -0.699 . . . . 72.43 110.027 178.718 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.766 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.767 -0.457 . . . . 73.12 109.767 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.15 141.37 14.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.552 0.691 . . . . 75.03 111.37 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.15 153.44 26.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.107 -0.951 . . . . 72.13 110.57 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.543 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 28.7 t80 -59.33 -42.14 90.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.747 -0.206 . . . . 73.22 111.44 -176.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 75.44 110.706 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.06 -37.5 87.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.669 -0.696 . . . . 70.14 110.98 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -67.14 -46.23 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 74.12 110.921 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.08 -48.35 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.327 0.392 . . . . 75.44 110.742 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.5 -42.92 82.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.544 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' HG21 ' A' ' 14' ' ' VAL . 26.0 tt0 -63.45 -47.78 80.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 63.45 110.109 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.586 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.4 t90 -55.61 -46.61 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.669 -0.696 . . . . 74.21 110.158 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.479 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 16.8 t80 -60.33 -48.51 81.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 73.44 111.36 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.803 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.0 tt0 -66.6 -24.56 66.35 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.855 0.36 . . . . 63.13 111.527 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 10' ' ' GLN . 59.0 t -89.25 -26.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.109 0.481 . . . . 75.33 110.764 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.921 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -101.73 -55.22 2.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.744 0.646 . . . . 62.44 112.744 -167.743 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 3.2 mptp? -109.73 -12.59 14.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.751 0.648 . . . . 73.51 112.751 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.803 HD22 ' HG3' ' A' ' 13' ' ' GLU . 28.0 tp -46.88 -57.04 9.88 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 113.113 0.783 . . . . 63.05 113.113 -171.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 96.7 Cg_endo -79.05 -0.94 11.18 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 121.621 1.547 . . . . 55.34 113.187 -176.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -108.51 -27.78 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.767 0.284 . . . . 74.35 111.767 -174.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.756 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.3 m -96.88 142.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.402 0.62 . . . . 74.45 111.482 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.7 m -80.95 173.97 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.43 -0.804 . . . . 74.42 110.258 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.8 pm0 -56.45 -36.71 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 75.22 111.166 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -56.04 -41.95 75.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.141 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.756 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -79.53 -30.68 41.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 72.03 110.621 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 7.9 mtpm? -60.65 -38.81 86.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.309 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 8.5 mmt-85 -58.83 -38.14 77.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 70.14 110.7 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -60.53 -54.81 40.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 75.4 110.931 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -64.33 -43.23 95.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 73.55 112.023 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.597 0.237 . . . . 63.31 111.603 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.4 m -74.45 -37.65 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 72.34 109.986 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.51 -44.52 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 65.1 110.085 175.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -57.3 -45.92 83.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.46 -0.791 . . . . 75.33 111.943 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -67.05 -34.28 77.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.622 -0.431 . . . . 62.25 111.159 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -70.33 -33.5 71.57 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.909 0.385 . . . . 72.44 110.722 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.3 mt -67.0 -46.74 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 72.12 110.511 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.47 -36.65 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 64.52 110.498 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.43 -50.46 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.906 . . . . 70.24 111.682 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.31 -56.48 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.44 0.533 . . . . 73.25 112.44 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.491 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 77.4 m-85 -84.73 59.51 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.337 0.589 . . . . 70.51 111.299 -173.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -65.49 114.8 5.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.558 -0.746 . . . . 73.15 110.221 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.4 m170 65.08 21.44 12.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.034 -0.53 . . . . 73.3 111.12 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.491 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 9.6 tptp -80.2 118.82 22.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.035 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD22 ' HG3' ' A' ' 1' ' ' MET . 66.6 mt -71.4 149.81 45.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.876 -0.602 . . . . 73.01 110.005 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.06 -30.74 71.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.153 0.501 . . . . 73.51 111.047 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -91.72 4.91 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.932 -0.576 . . . . 74.51 111.193 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 19.5 t70 -130.34 76.36 1.72 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.539 -0.3 . . . . 74.34 110.442 178.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 37.1 mt -142.14 128.23 18.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.173 0.511 . . . . 63.33 110.039 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.714 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 88.5 mttt -89.53 154.33 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.508 -0.769 . . . . 62.25 110.449 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.522 HH21 ' HG2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -57.69 -37.98 74.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.625 -0.716 . . . . 72.5 111.127 176.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -28.93 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.31 . . . . 73.44 111.418 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.714 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 48.4 mt-10 -72.24 -35.74 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 74.22 109.614 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' HH ' ' HB ' ' A' ' 75' ' ' ILE . 31.5 t80 -72.05 -41.14 67.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.678 . . . . 75.12 109.776 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.738 ' HB2' ' HB3' ' A' ' 95' ' ' LYS . 25.9 tm0? -56.05 -46.58 78.86 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.682 -0.69 . . . . 74.35 109.373 173.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.67 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -56.16 -53.43 57.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.272 -0.876 . . . . 65.44 110.502 176.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.585 ' CE2' HD23 ' A' ' 71' ' ' LEU . 83.5 t80 -54.1 -47.19 72.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.528 -0.76 . . . . 74.12 111.455 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 96' ' ' ALA . 76.5 mt -64.91 -39.19 93.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.422 -0.354 . . . . 74.53 111.379 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -61.9 -46.98 87.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.102 -0.239 . . . . 74.31 110.947 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 6.2 mm-40 -64.29 -37.36 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.331 0.586 . . . . 65.44 109.968 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.94 -41.39 78.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.654 -0.703 . . . . 75.01 110.902 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.77 75.38 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.019 -0.537 . . . . 75.33 112.795 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -82.56 -12.82 57.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.781 0.324 . . . . 73.51 110.923 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -141.41 18.22 2.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.074 0.464 . . . . 74.52 111.107 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -144.79 158.65 43.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 75.1 111.226 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -77.23 162.1 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.771 -0.65 . . . . 70.44 111.008 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -60.02 -42.3 94.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 73.14 111.696 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.5 -31.12 71.03 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.328 -0.549 . . . . 71.52 111.405 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -68.29 -44.03 76.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.875 0.369 . . . . 74.41 110.201 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.523 HD11 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -72.33 -33.36 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.281 -0.418 . . . . 74.52 110.203 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -57.33 -46.22 83.49 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.41 -0.359 . . . . 74.22 110.345 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -39.95 81.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.122 -0.49 . . . . 64.52 110.814 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.585 HD23 ' CE2' ' A' ' 55' ' ' PHE . 45.2 tp -53.23 -51.26 62.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.248 -0.433 . . . . 64.11 110.52 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 26.1 t30 -51.85 -53.51 39.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 74.13 111.438 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -59.03 -32.24 69.55 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.398 0.518 . . . . 75.11 112.398 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -69.63 -54.32 14.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.032 0.444 . . . . 74.15 110.093 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.543 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.2 mt -63.72 -41.51 92.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.649 -0.705 . . . . 74.12 110.797 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -59.77 -43.87 94.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.974 -0.557 . . . . 70.41 110.425 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -66.0 -35.3 80.19 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.713 0.292 . . . . 73.55 110.534 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.98 72.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.076 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -69.13 -34.07 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 71.21 110.933 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.434 ' HA ' HG21 ' A' ' 83' ' ' ILE . 12.9 t70 -65.42 -39.11 91.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 60.42 110.374 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.4 t70 -64.02 -47.81 78.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.029 0.442 . . . . 73.14 109.859 174.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.71 -45.75 81.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.623 -0.717 . . . . 73.22 111.686 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.434 HG21 ' HA ' ' A' ' 80' ' ' ASP . 9.4 tt -70.76 -33.06 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.919 -0.312 . . . . 71.43 111.147 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -64.97 -27.58 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.389 . . . . 74.53 110.366 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 55.9 mm-40 -90.88 -6.43 54.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 71.43 110.796 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.67 26.77 70.69 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.422 -0.671 . . . . 73.22 111.422 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -84.6 -32.97 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.157 -0.522 . . . . 74.25 110.268 -175.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.84 164.97 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.216 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.3 pt -101.5 -32.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.838 0.681 . . . . 74.41 112.838 -173.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -137.13 173.32 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.983 0.42 . . . . 65.44 111.768 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -112.7 113.84 50.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 74.04 111.115 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' ILE . 96.6 Cg_endo -82.86 8.35 4.65 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.598 2.199 . . . . 73.32 111.016 172.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -79.28 -0.01 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.443 -0.799 . . . . 73.13 111.911 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.47 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 36.3 t80 -86.35 155.96 20.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.683 -0.858 . . . . 71.4 108.683 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . 28.4 mmtt 71.46 21.25 4.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 123.639 0.587 . . . . 71.2 109.521 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.535 ' HA ' HD12 ' A' ' 56' ' ' LEU . . . -78.07 47.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.436 -0.802 . . . . 55.24 110.12 176.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.02 106.81 3.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.435 -0.802 . . . . 72.52 109.836 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 HG12 ' A' ' 68' ' ' ILE . 59.0 mt -75.45 82.39 2.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.584 -0.734 . . . . 61.54 110.225 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -103.13 102.05 12.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.36 -0.837 . . . . 74.32 110.143 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.33 107.91 19.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.874 -0.603 . . . . 62.14 109.844 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -72.97 -7.72 52.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.163 0.506 . . . . 72.13 110.342 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.62 68.78 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.638 -0.71 . . . . 72.54 110.067 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.51 101.46 6.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.235 -0.893 . . . . 74.21 109.223 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.56 109.48 2.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.32 0.581 . . . . 73.0 110.733 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -127.44 114.91 18.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.818 -0.628 . . . . 75.4 110.253 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -90.93 85.33 5.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.653 -0.703 . . . . 74.22 109.602 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -105.33 93.97 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.432 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -63.82 127.41 31.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 74.41 110.049 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -95.4 145.65 24.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.166 -0.47 . . . . 73.4 109.916 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--O 1.243 0.757 0 CA-C-O 119.385 -0.341 . . . . 72.02 110.624 176.684 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' SD ' ' HD3' ' A' ' 45' ' ' LYS . 26.3 mmt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.835 0.35 . . . . 73.33 110.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.505 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.4 tt -148.6 159.31 6.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 72.4 109.808 -176.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -70.65 146.61 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 74.54 109.869 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.533 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 22.5 t80 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.526 0.203 . . . . 73.54 111.235 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.24 74.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.342 . . . . 65.34 111.292 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' OD2' HD13 ' A' ' 2' ' ' ILE . 29.6 t70 -71.98 -36.18 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.416 -0.356 . . . . 70.43 110.441 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' HB2' HG23 ' A' ' 2' ' ' ILE . 81.9 t80 -64.41 -44.2 92.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 75.12 110.781 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.94 -46.28 89.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.725 0.298 . . . . 74.44 110.519 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.25 -46.29 77.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 63.53 110.355 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' O ' HG21 ' A' ' 14' ' ' VAL . 9.2 tt0 -59.58 -46.33 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 70.11 110.383 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.586 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 55.5 t90 -56.46 -51.65 67.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 71.21 110.445 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 15.2 t80 -59.37 -43.76 92.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 74.21 111.212 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.693 ' HG3' HD21 ' A' ' 17' ' ' LEU . 39.4 tt0 -59.58 -36.84 77.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.365 -0.379 . . . . 73.1 111.5 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 10' ' ' GLN . 18.2 t -90.18 -22.05 6.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.026 0.441 . . . . 42.31 111.072 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.586 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -102.3 -47.17 4.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.576 0.584 . . . . 72.14 112.576 -166.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 20' ' ' VAL . 73.4 mmtt -120.64 -18.95 7.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.178 0.436 . . . . 74.22 112.178 -171.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.693 HD21 ' HG3' ' A' ' 13' ' ' GLU . 24.4 tp -51.5 -54.93 33.8 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.782 0.66 . . . . 73.24 112.782 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.666 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 79.9 Cg_endo -83.87 21.18 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.898 1.732 . . . . 74.02 112.995 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.93 -56.66 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.837 0.31 . . . . 63.33 111.837 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.1 m -71.09 149.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.283 0.563 . . . . 74.51 112.091 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.1 m -67.55 165.95 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.47 -0.786 . . . . 74.32 110.787 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.47 -32.67 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.14 110.436 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -60.16 -32.46 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 62.44 110.523 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.745 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 62.9 m -87.1 -31.78 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 73.24 110.758 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -56.7 -39.01 73.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 74.42 111.019 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -70.29 -27.86 64.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 73.5 111.38 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.745 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 79.4 m-70 -60.14 -51.13 70.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.849 -0.426 . . . . 71.55 109.849 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -63.91 -42.83 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 75.3 110.672 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.599 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -55.03 -49.95 70.28 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.068 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 m -66.75 -38.34 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.857 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.71 92.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 38.0 110.502 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.96 -35.21 74.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.53 -0.759 . . . . 74.4 111.096 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 59.5 mttm -60.46 -46.07 91.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.14 0.495 . . . . 74.14 110.305 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 55' ' ' PHE . 85.4 m-70 -73.12 -34.23 66.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.639 -0.71 . . . . 74.12 111.166 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.86 -44.69 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.898 0.38 . . . . 63.52 110.187 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -63.5 -26.78 68.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 70.34 110.786 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.37 -51.73 27.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 71.4 111.268 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.38 -35.99 18.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.018 0.747 . . . . 74.23 113.018 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.723 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 82.7 m-85 -119.93 84.71 2.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.626 0.727 . . . . 75.14 111.937 -173.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -98.14 114.86 27.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.046 -0.979 . . . . 73.24 110.575 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 63.4 m170 68.9 5.19 4.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.045 0.538 . . . . 75.32 112.07 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.723 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 34.7 tttp -81.34 125.65 30.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.786 0.327 . . . . 70.01 110.967 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.55 148.9 40.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.949 -0.568 . . . . 75.32 110.567 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 2.6 pt? -67.13 -28.92 68.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.879 0.371 . . . . 64.02 111.057 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 17.8 pttp -81.06 -15.88 54.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 75.2 110.097 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -95.39 -3.96 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.422 -0.808 . . . . 74.12 110.027 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.09 118.91 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 64.1 110.811 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.786 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.9 mtpm? -66.66 120.99 14.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.998 -0.741 . . . . 72.04 108.998 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -67.86 -27.18 66.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.113 0.482 . . . . 72.33 110.286 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -33.34 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 71.21 110.44 172.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.786 ' HB2' ' HB2' ' A' ' 48' ' ' LYS . 10.0 tp10 -70.97 -38.45 72.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.208 -0.664 . . . . 75.22 109.208 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -64.13 -43.32 95.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.534 -0.757 . . . . 75.11 110.011 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 73.52 109.821 174.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.25 -42.53 86.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.213 -0.448 . . . . 73.34 111.089 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' CE2' HD23 ' A' ' 71' ' ' LEU . 71.2 t80 -56.32 -46.62 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.63 -0.714 . . . . 72.34 110.849 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -42.42 94.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.518 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 94.7 m-20 -60.58 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.686 -0.234 . . . . 71.34 111.14 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -62.26 -36.0 80.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.437 . . . . 75.03 110.325 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -68.87 -42.51 76.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.383 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.2 -11.02 79.25 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 116.101 -0.499 . . . . 74.44 112.995 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -87.9 -14.18 40.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 55.21 110.657 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 p -128.58 9.15 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.225 0.454 . . . . 72.25 112.225 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -147.28 175.18 10.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 74.25 110.482 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.4 t -88.23 169.77 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.44 -0.345 . . . . 74.31 110.606 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.497 ' HA ' HG21 ' A' ' 68' ' ' ILE . 78.8 t80 -64.32 -42.24 96.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 72.4 111.103 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' CD ' ' HZ3' ' A' ' 70' ' ' LYS . 3.9 mm-40 -61.22 -35.74 78.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 75.42 110.869 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -68.89 -45.5 70.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.045 -0.525 . . . . 72.33 110.73 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.579 HG12 HD21 ' A' ' 98' ' ' LEU . 11.2 tt -73.32 -34.69 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.44 -0.345 . . . . 63.41 111.04 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -68.65 -41.14 79.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.096 -0.335 . . . . 71.13 110.096 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HZ3' ' CD ' ' A' ' 66' ' ' GLU . 13.5 mptt -55.46 -50.58 69.47 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.611 -0.514 . . . . 73.1 109.611 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.494 HD23 ' CE2' ' A' ' 55' ' ' PHE . 42.8 tp -53.79 -56.86 13.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.391 -0.822 . . . . 73.32 111.705 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.456 ' HB2' HD22 ' A' ' 98' ' ' LEU . 54.5 t30 -56.51 -39.53 73.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.792 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -37.71 85.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 75.31 110.995 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -70.47 -50.33 39.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 72.33 110.375 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.533 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 73.9 mt -63.79 -42.96 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.008 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.549 ' HA ' HG22 ' A' ' 93' ' ' THR . 40.9 ttt-85 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 74.34 110.291 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.519 HD21 ' HZ2' ' A' ' 11' ' ' TRP . 3.2 t30 -66.16 -33.93 76.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.21 110.615 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -46.55 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.065 0.459 . . . . 64.42 110.475 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 54.2 m-85 -74.82 -33.75 62.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 74.32 111.474 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' HA ' HG21 ' A' ' 83' ' ' ILE . 32.0 t70 -66.42 -34.4 77.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.313 -0.403 . . . . 72.32 110.381 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.42 -38.25 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.267 0.556 . . . . 74.33 109.833 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.69 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 62.42 110.771 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG21 ' HA ' ' A' ' 80' ' ' ASP . 13.3 tt -63.84 -30.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.166 0.508 . . . . 71.35 110.241 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -57.84 -25.19 60.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.369 -0.832 . . . . 74.11 111.105 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -118.14 -4.22 11.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.795 0.331 . . . . 51.31 111.365 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.5 21.45 47.97 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.75 -0.738 . . . . 65.3 112.137 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.98 -24.23 59.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 64.34 110.086 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.58 143.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.783 . . . . 73.31 108.887 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.52 -31.59 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.754 0.312 . . . . 74.41 111.542 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -138.77 135.1 34.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.655 0.264 . . . . 61.41 110.482 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 m-20 -89.45 127.16 55.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 72.45 110.902 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 7.3 Cg_exo -74.83 8.26 2.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.244 2.629 . . . . 75.33 112.633 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 76' ' ' ARG . 7.1 p -81.85 5.92 17.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 73.1 110.686 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -76.24 141.1 41.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 74.41 110.457 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 tptp 72.83 4.04 4.86 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.328 0.651 . . . . 64.13 111.393 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.94 145.34 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 61.24 111.197 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -138.7 155.81 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 63.22 110.21 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.579 HD21 HG12 ' A' ' 68' ' ' ILE . 85.7 mt -114.88 96.48 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.581 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -121.5 94.88 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 75.22 111.024 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.76 87.36 5.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.26 -0.645 . . . . 72.42 109.26 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 10.1 t -66.92 -6.01 14.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 70.32 111.598 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.7 t -68.86 -37.93 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 64.3 109.988 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.433 HD13 ' C ' ' A' ' 103' ' ' LEU . 2.9 pp -115.96 2.41 13.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 71.42 111.498 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.566 ' HB3' ' HA ' ' A' ' 101' ' ' SER . 33.7 tt0 -81.31 92.43 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.35 0.595 . . . . 73.04 110.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -160.38 124.92 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.041 -0.982 . . . . 75.24 108.711 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -119.65 115.8 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.197 0.522 . . . . 72.32 111.255 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -135.14 117.65 15.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.425 -0.807 . . . . 74.45 108.907 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -107.88 132.8 53.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.161 0.505 . . . . 73.14 111.249 -174.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -85.61 -30.64 23.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.018 -0.734 . . . . 65.41 109.018 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.172 -0.922 . . . . 71.41 109.405 173.281 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.7 ' HG2' HD23 ' A' ' 43' ' ' LEU . 48.3 ttm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.921 0.391 . . . . 54.31 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.471 HD13 ' OD2' ' A' ' 6' ' ' ASP . 14.7 tt -104.6 164.67 3.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 75.44 110.856 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.67 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 23.0 p -76.56 149.59 36.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.063 -0.347 . . . . 74.4 110.063 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 24.9 t80 -66.46 -38.85 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.691 -0.232 . . . . 74.54 111.255 -175.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 63.52 111.062 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.471 ' OD2' HD13 ' A' ' 2' ' ' ILE . 38.2 t70 -68.95 -40.23 79.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 55.13 110.622 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -59.92 -46.31 89.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.956 -0.565 . . . . 73.2 110.511 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.59 -44.58 96.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.506 . . . . 74.01 110.975 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.91 -45.3 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 72.05 111.002 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.03 -46.23 85.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.206 0.527 . . . . 73.41 110.035 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -55.19 -47.67 74.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.205 -0.907 . . . . 73.43 110.683 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.514 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 5.4 t80 -65.38 -50.34 65.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 64.35 111.905 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.77 -24.75 67.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.336 0.495 . . . . 73.15 112.336 -171.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.72 -23.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.819 0.303 . . . . 64.51 111.819 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -111.81 -31.37 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.468 0.914 . . . . 43.41 113.468 -169.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.1 mptp? -113.39 -16.77 12.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.452 -0.499 . . . . 72.24 112.308 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.702 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.3 tp -50.49 -59.02 8.06 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.059 0.762 . . . . 75.51 113.059 -171.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 87.5 Cg_endo -86.05 15.82 2.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.143 1.895 . . . . 51.33 113.367 -174.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -123.41 -51.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.791 -0.364 . . . . 73.42 111.805 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 25.3 m -79.53 151.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 74.33 111.682 -173.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 36.9 m -73.54 171.3 13.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 73.02 110.68 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -65.29 -25.38 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 71.34 111.398 -178.571 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 p -62.66 -42.64 99.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 73.14 110.0 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.637 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.4 m -73.32 -31.7 64.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.768 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 28.7 mmtm -56.58 -45.21 81.48 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 109.139 -0.689 . . . . 73.35 109.139 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -57.25 -43.68 83.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.177 -0.92 . . . . 74.34 110.911 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -57.85 -53.31 59.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.351 -0.386 . . . . 74.3 111.124 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -64.26 -41.12 97.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.708 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.44 -42.68 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.902 -0.319 . . . . 55.14 110.81 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 64.23 110.497 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.72 67.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.954 0.407 . . . . 42.43 110.499 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.57 -43.19 84.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 72.53 112.018 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -71.03 -32.5 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.849 -0.34 . . . . 50.2 111.673 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -74.86 -36.12 62.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.893 -0.323 . . . . 72.42 110.683 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.481 HG23 ' HD2' ' A' ' 39' ' ' PHE . 77.6 mt -62.43 -50.9 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 62.51 110.144 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -63.75 -27.78 69.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 72.41 110.632 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.755 -0.657 . . . . 75.54 111.174 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -86.79 -54.94 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.025 0.44 . . . . 75.34 111.514 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' HD2' HG23 ' A' ' 35' ' ' ILE . 45.9 m-85 -88.67 63.84 7.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.555 0.693 . . . . 75.44 111.106 -171.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -69.18 111.8 5.36 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.03 -0.986 . . . . 74.12 110.394 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.3 m170 64.85 25.16 12.83 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.93 -0.577 . . . . 75.14 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 132.25 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.856 0.36 . . . . 60.45 110.616 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.7 HD23 ' HG2' ' A' ' 1' ' ' MET . 15.5 mt -74.91 156.19 36.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.387 -0.597 . . . . 60.4 109.387 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.617 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.7 pt? -64.59 -32.78 74.58 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.09 -0.244 . . . . 73.35 111.64 -176.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.753 ' HB3' HG21 ' A' ' 88' ' ' VAL . 15.5 ptmt -93.27 -1.85 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 72.21 110.596 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.582 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 36.3 t70 -92.41 -6.54 49.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.63 0.728 . . . . 61.25 109.391 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -67.59 98.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.003 -0.999 . . . . 73.4 109.575 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 51' ' ' GLU . 48.1 tttp -59.72 138.58 57.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.236 -0.653 . . . . 73.4 109.236 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.804 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -60.28 -42.72 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 73.34 110.653 -176.197 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -70.69 -27.87 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.915 -0.584 . . . . 74.24 110.934 178.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 10.4 tp10 -70.61 -38.12 73.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 70.55 109.759 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' HE1' HD11 ' A' ' 75' ' ' ILE . 58.4 t80 -65.18 -37.3 86.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.53 -0.759 . . . . 74.23 109.912 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HB3' ' O ' ' A' ' 50' ' ' THR . 5.1 tp-100 -54.75 -57.23 12.35 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.651 -0.704 . . . . 62.24 110.02 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -51.4 -39.8 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.697 -0.683 . . . . 75.54 111.639 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.496 ' CE2' HD23 ' A' ' 71' ' ' LEU . 64.3 t80 -60.96 -51.49 69.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.386 -0.37 . . . . 70.32 110.634 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' A' ' 68' ' ' ILE . 93.4 mt -65.99 -38.13 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.374 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.533 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.8 t-20 -53.97 -53.46 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.649 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.92 -40.35 91.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.06 -0.518 . . . . 71.14 110.881 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.35 -39.01 88.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.513 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.21 -15.6 81.32 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 116.128 -0.487 . . . . 55.15 112.687 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 79.0 mt -84.6 -13.26 52.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.697 0.284 . . . . 75.23 110.553 176.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 p -121.41 -0.47 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.106 0.41 . . . . 74.04 112.106 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -143.09 168.69 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.567 0.222 . . . . 61.15 110.616 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -82.29 172.81 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.361 -0.381 . . . . 65.32 111.19 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.482 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 65.2 t80 -61.27 -47.5 85.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 74.23 111.724 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 69' ' ' ARG . 9.7 mm-40 -60.05 -33.88 72.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.737 0.273 . . . . 75.12 111.737 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -48.36 69.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 73.13 110.677 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.6 HD13 ' HB3' ' A' ' 56' ' ' LEU . 11.7 tt -72.61 -34.05 46.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.242 -0.436 . . . . 75.11 110.384 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.501 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 71.4 ttt180 -60.99 -50.36 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 75.34 110.357 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.26 -47.66 82.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 73.52 110.725 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.496 HD23 ' CE2' ' A' ' 55' ' ' PHE . 32.9 tp -53.17 -54.7 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 74.5 111.105 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 26.5 t-20 -62.64 -33.49 75.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 74.01 111.197 -178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -61.21 -47.92 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.439 -0.346 . . . . 73.24 111.032 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.76 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.97 0.415 . . . . 73.33 110.097 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.41 HD11 ' HE1' ' A' ' 52' ' ' TYR . 83.4 mt -62.94 -42.07 95.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.477 -0.783 . . . . 63.33 111.017 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 64.3 mtt180 -59.45 -48.52 81.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.849 0.357 . . . . 71.14 110.438 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.68 -36.1 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.858 -0.61 . . . . 54.11 110.924 -175.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.85 97.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.429 . . . . 74.13 110.507 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.04 -30.37 62.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 75.41 111.217 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' O ' HG21 ' A' ' 83' ' ' ILE . 38.3 m-20 -56.39 -44.32 80.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 74.42 110.403 174.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -68.89 -35.21 76.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.423 -0.353 . . . . 72.15 110.742 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -44.18 75.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 74.34 111.243 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.455 HG21 ' O ' ' A' ' 80' ' ' ASP . 13.6 tt -67.81 -28.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 70.31 111.231 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -54.88 -32.04 60.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.728 0.299 . . . . 74.5 110.374 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.62 -32.54 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.403 0.621 . . . . 73.24 109.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.08 25.83 5.72 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.48 -0.782 . . . . 74.32 111.714 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' CE1' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -59.81 -55.37 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.299 0.571 . . . . 73.41 109.77 179.654 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 45' ' ' LYS . 39.4 t -120.5 122.77 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.757 -0.656 . . . . 65.14 109.296 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.1 tt -78.6 -32.54 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.447 . . . . 75.11 111.371 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -125.16 102.57 7.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.858 -0.423 . . . . 71.02 109.858 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.92 143.63 87.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 73.43 110.946 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -62.3 -9.45 15.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.299 2.666 . . . . 75.15 113.033 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 p -75.74 77.84 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.24 0.543 . . . . 74.43 110.686 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.804 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 55.1 t80 -87.48 -78.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 73.35 109.678 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -112.8 84.7 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.634 0.731 . . . . 71.42 109.602 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.42 94.26 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.114 -0.948 . . . . 55.42 110.148 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -100.01 108.91 21.22 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.46 -0.791 . . . . 73.25 110.46 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.51 43.3 0.96 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.587 -0.733 . . . . 63.02 109.951 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -85.2 81.95 8.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.021 -0.991 . . . . 75.33 110.541 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 107.86 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.605 . . . . 73.13 110.591 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.457 ' HA ' ' HG2' ' A' ' 104' ' ' GLU . 73.9 m -74.87 0.48 15.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 70.03 111.95 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.54 -29.16 33.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 75.44 109.656 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.76 1.33 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 75.25 112.018 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.457 ' HG2' ' HA ' ' A' ' 101' ' ' SER . 13.8 pt-20 -108.57 136.49 48.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.887 -0.412 . . . . 62.3 109.887 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -115.24 176.74 4.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.017 -0.538 . . . . 61.44 110.692 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -143.76 117.14 9.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.34 109.786 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -95.99 174.73 6.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.9 0.381 . . . . 74.52 110.758 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.77 166.74 13.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.008 -0.542 . . . . 70.41 109.748 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -136.77 -29.04 0.95 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.181 0.515 . . . . 75.41 109.722 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.242 0.7 0 CA-C-N 115.336 -0.847 . . . . 74.4 108.815 -179.715 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HE2' ' HG2' ' A' ' 45' ' ' LYS . 93.3 mmm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.911 0.386 . . . . 54.02 110.861 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -138.89 159.19 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.12 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.594 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.1 p -77.36 152.86 34.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.308 -0.256 . . . . 72.55 110.308 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HZ ' HG22 ' A' ' 75' ' ' ILE . 17.5 t80 -63.83 -44.14 94.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.346 -0.388 . . . . 75.32 110.812 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.43 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 72.2 111.288 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.48 -39.29 77.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 71.22 110.914 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.8 -42.29 99.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 73.23 110.785 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.24 -44.74 88.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 74.31 110.394 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.04 -42.88 72.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.695 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.03 0.443 . . . . 72.21 110.114 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.57 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 73.0 t90 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.863 . . . . 74.13 110.571 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.561 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 34.0 t80 -60.44 -50.76 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.479 -0.328 . . . . 73.34 111.213 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.78 -34.67 54.35 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.95 0.781 . . . . 74.35 111.802 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.3 t -92.27 -33.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 70.2 111.786 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -98.7 -54.35 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.164 0.802 . . . . 72.43 113.164 -163.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.9 mmtt -104.79 -11.59 16.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.088 0.403 . . . . 73.2 112.088 -168.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.636 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 13.0 tp -49.61 -56.61 15.73 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 112.723 0.638 . . . . 74.45 112.723 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 98.9 Cg_endo -82.95 12.81 2.82 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.982 1.788 . . . . 75.32 113.63 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -120.46 -23.62 6.07 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.624 -0.431 . . . . 74.12 111.727 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.641 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 26.1 m -98.8 158.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.394 . . . . 75.33 111.46 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 p -86.05 173.4 9.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 73.54 110.629 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -62.76 -36.61 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 63.43 111.358 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -61.8 -36.81 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.055 0.455 . . . . 71.33 110.113 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.641 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -71.35 -34.56 70.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 61.02 110.05 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.648 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 3.6 mmmm -55.33 -46.76 76.33 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.432 -0.581 . . . . 70.23 109.432 173.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 26' ' ' ARG . 15.5 mmm-85 -58.42 -41.8 85.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.593 -0.73 . . . . 72.42 111.335 178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -62.15 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 73.3 111.119 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 37.0 m-85 -65.18 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.552 -0.294 . . . . 72.31 111.006 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 46.8 mt-10 -56.42 -54.27 47.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.783 -0.451 . . . . 62.02 109.783 172.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.1 t -54.79 -48.2 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.412 -0.813 . . . . 71.14 110.287 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -56.02 26.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 63.13 111.001 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -57.19 -44.81 83.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 63.22 111.826 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 51.4 mtpt -69.28 -37.4 77.83 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.648 0.261 . . . . 74.32 111.407 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -74.04 -34.83 64.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 119.961 -0.696 . . . . 72.44 110.352 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.61 -51.06 76.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.014 -0.539 . . . . 74.01 110.784 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 14.2 ptmm? -64.53 -26.24 68.34 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.597 0.237 . . . . 64.24 110.945 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.3 -49.94 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 72.23 111.324 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -76.63 -33.49 58.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 72.13 110.89 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.425 ' HB3' ' CB ' ' A' ' 42' ' ' LYS . 60.0 m-85 -121.31 92.41 3.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.382 -0.599 . . . . 74.32 109.382 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 26.2 mmt180 -72.8 -54.08 9.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.671 -0.695 . . . . 64.03 111.748 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -130.07 23.41 5.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.377 0.608 . . . . 61.25 110.221 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' HB3' ' A' ' 39' ' ' PHE . 5.4 tptp -66.32 129.29 39.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.211 -0.904 . . . . 73.14 109.675 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 86.5 mt -70.87 159.09 35.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.748 0.308 . . . . 65.4 110.557 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 HD22 ' HD1' ' A' ' 4' ' ' PHE . 3.1 tm? -58.45 -35.7 72.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.853 -0.612 . . . . 64.12 110.38 -177.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HG2' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -98.48 7.43 46.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 75.44 111.379 -177.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 26.0 t70 -100.27 -0.61 38.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.873 0.368 . . . . 60.13 110.744 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 26.2 mm -75.01 115.2 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 72.01 109.791 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 93.4 mttt -86.65 173.38 9.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.854 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.779 ' HG3' ' HB3' ' A' ' 94' ' ' TYR . 0.6 OUTLIER -69.16 -49.19 58.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.631 . . . . 74.44 110.944 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 p -71.0 -32.28 69.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.075 -0.511 . . . . 63.44 111.738 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 75.2 mt-10 -63.72 -47.33 81.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.573 -0.529 . . . . 75.14 109.573 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.701 ' HE1' HG21 ' A' ' 75' ' ' ILE . 46.3 t80 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.028 -0.987 . . . . 75.24 110.226 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 74.52 110.709 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -39.52 94.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.406 -0.361 . . . . 73.41 110.53 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD22 ' A' ' 71' ' ' LEU . 63.9 t80 -59.13 -46.96 86.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 73.42 110.604 177.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.25 -43.73 93.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 74.44 110.715 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.597 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-20 -59.74 -46.06 90.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 61.21 111.322 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.73 -24.05 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 74.45 111.109 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -77.28 -39.13 49.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.915 0.388 . . . . 73.44 110.16 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -78.75 3.33 64.61 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.807 -0.633 . . . . 74.14 112.897 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 101' ' ' SER . 94.6 mt -86.17 -17.8 33.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 75.12 110.421 176.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -129.17 7.25 5.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.359 . . . . 54.44 111.695 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.23 151.77 49.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.523 -0.308 . . . . 74.21 111.148 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -73.46 168.27 19.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.872 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.611 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 67.6 t80 -63.74 -44.41 93.61 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.347 0.499 . . . . 74.41 112.347 -172.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.345 -0.542 . . . . 75.22 111.142 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 m -66.12 -43.07 88.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.55 -0.296 . . . . 73.03 111.044 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG12 HD21 ' A' ' 98' ' ' LEU . 12.7 tt -69.78 -32.89 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 110.05 -0.352 . . . . 73.23 110.05 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.611 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 13.5 mtp180 -57.26 -48.96 77.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.457 -0.338 . . . . 73.24 110.844 174.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -55.01 -48.37 73.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.328 -0.397 . . . . 74.52 110.397 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD22 ' CE2' ' A' ' 55' ' ' PHE . 34.6 tp -52.74 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 74.24 111.45 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -57.65 -38.85 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 44.11 110.888 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -60.89 -41.64 96.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.697 -0.683 . . . . 75.43 111.317 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.72 -48.82 65.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 70.52 110.614 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.701 HG21 ' HE1' ' A' ' 52' ' ' TYR . 61.5 mt -63.47 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.705 -0.68 . . . . 73.31 111.037 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.22 -36.01 80.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.807 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.49 -37.99 68.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 75.32 110.553 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.5 85.91 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.35 0.595 . . . . 64.4 110.545 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.61 -31.09 72.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.932 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.475 ' HA ' HG21 ' A' ' 83' ' ' ILE . 17.8 t70 -62.21 -46.01 90.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 63.24 110.847 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -40.68 88.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.103 0.478 . . . . 73.43 110.346 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 87' ' ' TYR . . . -67.17 -51.23 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 62.45 111.777 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.475 HG21 ' HA ' ' A' ' 80' ' ' ASP . 13.1 tt -66.44 -32.42 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 75.14 111.582 -174.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -65.79 -14.17 60.87 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.713 0.264 . . . . 65.03 111.713 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -112.5 -33.78 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 74.03 110.569 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.2 6.38 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.182 -0.767 . . . . 64.12 111.182 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.497 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . 38.9 t80 -71.1 -30.47 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.246 -0.477 . . . . 71.35 110.439 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.05 156.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.767 -0.651 . . . . 53.45 110.413 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.0 mm -79.33 -61.73 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.106 0.479 . . . . 71.4 110.718 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -146.09 134.75 22.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 65.42 110.299 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.02 141.77 71.65 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 72.21 111.003 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.68 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 83.5 Cg_endo -86.56 4.37 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.912 2.408 . . . . 74.42 112.388 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 p -75.82 8.67 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.008 -0.542 . . . . 73.41 112.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.779 ' HB3' ' HG3' ' A' ' 49' ' ' ARG . 91.6 t80 -61.54 -55.96 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.05 0.452 . . . . 75.32 109.821 175.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.86 77.1 4.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.273 0.558 . . . . 61.23 109.963 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.21 33.55 3.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.287 -0.87 . . . . 37.23 110.149 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.6 114.49 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.783 -0.644 . . . . 73.13 110.277 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.484 HD12 ' HG2' ' A' ' 69' ' ' ARG . 76.4 mt -79.39 96.08 5.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.663 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -101.57 90.77 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 73.04 111.0 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.43 93.26 8.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.525 . . . . 44.34 109.793 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.635 ' HB3' HD21 ' A' ' 61' ' ' LEU . 24.8 t -85.61 9.17 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.59 . . . . 74.31 111.409 -173.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 60' ' ' GLY . 86.7 t -63.33 -38.66 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.355 0.597 . . . . 74.24 109.599 173.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.41 95.1 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.507 -0.769 . . . . 73.34 109.965 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.84 -53.54 8.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.584 -0.525 . . . . 73.02 109.584 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -128.18 162.01 27.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 71.25 110.071 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -102.09 151.5 22.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.318 -0.401 . . . . 74.43 110.582 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -70.24 113.11 7.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.747 -0.464 . . . . 72.42 109.747 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.43 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 71.43 109.984 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -164.43 155.99 15.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.326 -0.852 . . . . 70.13 108.83 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.365 -0.826 . . . . 74.2 110.088 178.691 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.736 -0.468 . . . . 73.52 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tp -103.51 150.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 64.43 111.278 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -74.17 147.05 42.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.571 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -60.11 -45.98 91.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.121 -0.49 . . . . 74.33 111.729 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.039 0.447 . . . . 52.03 111.403 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.97 -46.21 88.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.881 -0.6 . . . . 74.24 111.525 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -64.45 -38.43 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 63.14 110.545 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.07 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.772 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.95 -42.46 73.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.868 -0.333 . . . . 64.15 110.402 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.41 ' O ' HG22 ' A' ' 14' ' ' VAL . 28.2 tt0 -62.12 -40.06 94.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 74.35 110.163 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 56.7 t90 -58.04 -50.25 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 73.42 110.108 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.47 -42.25 91.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.44 111.094 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.484 ' HG3' HD23 ' A' ' 17' ' ' LEU . 42.6 tt0 -59.5 -37.1 77.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 75.31 111.483 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 10' ' ' GLN . 28.0 t -90.66 -19.41 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.491 . . . . 74.42 111.228 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.612 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -101.84 -60.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -168.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' HG23 ' A' ' 20' ' ' VAL . 72.3 mmtt -106.83 -19.97 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.885 0.328 . . . . 73.34 111.885 -169.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.665 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 35.0 tp -46.66 -56.0 12.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 113.315 0.858 . . . . 72.04 113.315 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.665 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 85.9 Cg_endo -88.66 17.91 1.58 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.82 1.68 . . . . 73.32 113.725 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.1 -31.89 2.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.422 0.527 . . . . 71.14 112.422 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.704 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.0 m -91.11 160.06 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.5 . . . . 73.03 111.782 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 13.5 p -87.82 171.33 10.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 74.34 110.306 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.52 -36.81 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.103 0.409 . . . . 74.42 112.103 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -60.27 -51.19 70.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 65.01 110.594 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.704 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 12.4 m -66.58 -37.3 84.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.991 -0.549 . . . . 74.52 110.621 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.796 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 9.4 mtpm? -57.31 -51.56 68.87 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.302 -0.408 . . . . 73.43 110.453 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 mtm180 -63.31 -28.83 70.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 74.13 111.629 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -61.24 -52.33 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.901 -0.32 . . . . 73.15 110.294 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -62.67 -45.62 91.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 73.01 111.213 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 46.3 mt-10 -64.06 -42.72 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.637 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.567 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 26.3 m -68.17 -37.94 81.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 62.53 110.506 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.2 93.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.148 0.499 . . . . 62.34 109.707 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.22 -32.93 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.223 -0.899 . . . . 75.22 110.915 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 40.8 mmtm -62.92 -47.12 84.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.0 0.429 . . . . 75.21 110.254 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.416 ' CD2' ' HE1' ' A' ' 59' ' ' TYR . 96.3 m-70 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 65.54 110.391 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -67.78 -39.57 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 73.44 110.037 175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.664 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.7 tppt? -59.71 -30.03 68.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.503 -0.772 . . . . 73.12 111.075 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.56 -42.5 16.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 70.22 111.861 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -86.73 -54.79 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.901 0.334 . . . . 72.42 111.901 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 71.5 m-85 -96.87 58.32 1.61 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.146 0.498 . . . . 75.21 110.442 -175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 85.9 mtt180 -64.82 -57.49 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 74.53 111.353 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -113.04 23.15 13.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.198 0.523 . . . . 74.21 110.47 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.617 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 37.8 tptt -83.98 120.47 26.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.666 -0.697 . . . . 74.55 109.87 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 88.0 mt -70.24 151.89 44.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 73.55 111.033 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.61 -35.74 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.652 . . . . 72.43 110.9 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -81.7 -10.08 59.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.631 . . . . 73.53 111.579 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 4.2 t70 -99.05 7.58 45.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.538 . . . . 71.21 110.646 -172.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -80.02 97.39 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.378 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 9.0 mptt -84.13 160.48 20.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.688 -0.486 . . . . 75.04 109.688 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.888 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 97.8 mtt180 -61.96 -38.81 89.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.109 -0.496 . . . . 73.14 111.16 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -69.19 -40.79 77.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 74.33 111.309 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 5.4 mm-40 -59.6 -48.96 79.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.639 0.733 . . . . 73.32 109.686 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -62.99 -39.61 95.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.583 -1.19 . . . . 75.12 110.81 -178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.94 -42.05 85.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.403 . . . . 72.42 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.05 -37.32 71.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.989 0.424 . . . . 74.23 110.907 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' CE2' HD23 ' A' ' 71' ' ' LEU . 76.1 t80 -64.7 -43.5 93.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 73.53 110.403 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' HB3' HD12 ' A' ' 68' ' ' ILE . 92.6 mt -68.56 -37.19 79.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 72.03 111.283 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.578 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.9 m-20 -55.22 -48.81 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 73.42 110.032 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.8 -40.02 93.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.52 0.676 . . . . 71.12 110.512 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 20.0 t80 -71.62 -36.22 70.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.773 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.88 -7.91 87.37 Favored Glycine 0 CA--C 1.517 0.163 0 C-N-CA 121.386 -0.435 . . . . 71.25 112.575 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.8 mt -90.15 -10.9 42.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 74.31 110.715 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.7 p -119.33 -38.21 3.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.49 . . . . 72.22 112.09 -176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -108.91 170.86 7.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 74.33 111.385 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -84.49 -179.95 7.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.756 -0.656 . . . . 74.31 111.054 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.637 ' H ' HD21 ' A' ' 103' ' ' LEU . 91.1 t80 -68.36 -47.34 67.69 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 20.1 tt0 -64.91 -36.33 84.03 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.096 -0.642 . . . . 75.13 110.375 -175.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -61.17 -48.32 82.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 75.01 110.755 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 56' ' ' LEU . 12.1 tt -72.74 -34.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 72.22 110.444 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 31.6 ttt-85 -60.34 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.694 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.566 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 22.3 mtpt -69.83 -36.72 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.913 -0.585 . . . . 75.52 110.844 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 55' ' ' PHE . 27.9 tp -54.34 -53.92 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.089 0.471 . . . . 62.34 110.122 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -58.43 -36.91 74.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.27 -0.877 . . . . 70.33 111.033 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -63.92 -47.48 80.39 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.517 -0.31 . . . . 64.21 110.463 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.77 -48.85 78.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.063 0.459 . . . . 75.34 110.21 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.77 -40.89 90.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 71.4 110.447 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 76' ' ' ARG . 20.7 ttp85 -57.49 -48.26 79.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.814 -0.63 . . . . 74.43 110.826 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.39 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 62.34 110.834 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.86 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 75.34 111.168 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.11 -38.53 82.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 72.41 110.708 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.504 ' HA ' HG21 ' A' ' 83' ' ' ILE . 15.6 t70 -64.39 -37.69 88.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.965 -0.561 . . . . 71.15 110.016 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 14.1 t70 -59.48 -54.39 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 71.12 110.071 173.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -57.54 -50.15 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.524 -0.762 . . . . 53.12 111.574 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' A' ' 80' ' ' ASP . 11.5 tt -65.59 -35.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 60.01 111.114 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -67.09 -29.36 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.293 0.568 . . . . 73.34 110.296 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 29.5 mm-40 -94.66 -1.96 52.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.797 -0.638 . . . . 72.24 110.675 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.63 21.56 63.78 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 63.1 112.4 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.5 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 2.4 t80 -73.68 -50.97 18.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.248 0.547 . . . . 75.11 109.619 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.0 -174.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.534 -0.757 . . . . 73.14 110.398 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 89' ' ' ILE . 10.9 tp -138.01 19.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.036 0.922 . . . . 74.12 108.919 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -94.97 120.73 35.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.149 -0.932 . . . . 75.21 111.13 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -123.1 90.68 50.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 121.099 0.476 . . . . 65.1 110.358 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.888 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 91.6 Cg_endo -87.3 -3.67 7.74 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.816 2.344 . . . . 74.34 112.46 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 p -74.71 -15.11 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.979 0.733 . . . . 72.42 112.979 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.99 -53.8 53.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.827 0.346 . . . . 71.5 111.303 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 95' ' ' LYS . 41.2 tptt -87.58 9.6 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.2 0.524 . . . . 54.54 110.707 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.41 94.6 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.634 -0.712 . . . . 72.22 110.325 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.9 119.38 32.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.408 0.623 . . . . 64.45 109.962 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 69' ' ' ARG . 47.6 mt -81.13 76.27 8.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.462 -0.79 . . . . 75.34 110.734 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -96.73 103.49 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.0 -0.545 . . . . 74.53 110.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.21 10.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 64.35 110.026 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 t -65.41 -18.78 65.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.737 -0.665 . . . . 75.01 110.42 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.2 -33.12 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.648 -0.705 . . . . 75.14 111.677 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.637 HD21 ' H ' ' A' ' 65' ' ' TYR . 1.7 pp -130.85 26.51 4.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 71.21 112.591 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -69.58 103.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 74.35 110.462 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -103.4 130.63 50.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.469 -0.787 . . . . 63.31 110.156 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -83.93 -75.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.447 -0.342 . . . . 72.34 110.487 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 173.44 154.91 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.77 -0.826 . . . . 75.43 108.77 -175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -56.96 113.71 1.8 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.272 -0.64 . . . . 73.34 109.272 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -142.34 154.83 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.398 0.618 . . . . 74.32 112.084 -168.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 . . . . . 0 C--O 1.247 0.972 0 N-CA-C 108.424 -0.954 . . . . 70.41 108.424 163.658 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.66 ' HE2' ' HB3' ' A' ' 44' ' ' LEU . 1.5 tmm? . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.073 -0.343 . . . . 75.51 110.073 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp -80.75 143.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.219 0.533 . . . . 73.43 111.378 -176.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.94 147.9 46.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.584 -0.734 . . . . 74.1 110.724 175.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -59.91 -40.21 88.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.51 110.946 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.21 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 63.44 111.378 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.96 -29.65 68.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.956 -0.566 . . . . 64.43 111.184 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -70.4 -43.19 70.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.587 -0.279 . . . . 74.12 110.351 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.57 -50.59 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 72.21 110.699 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . 50.9 t80 -66.73 -42.06 86.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 72.24 110.745 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' O ' HG21 ' A' ' 14' ' ' VAL . 51.9 tt0 -59.55 -52.77 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 72.32 110.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -54.27 -45.32 72.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.65 -0.704 . . . . 73.13 111.006 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' HH ' ' HA ' ' A' ' 25' ' ' LYS . 25.8 t80 -64.34 -50.93 65.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.001 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 11.2 tm-20 -59.23 -34.45 72.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.941 -0.572 . . . . 74.31 110.922 -175.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 10' ' ' GLN . 94.2 t -78.21 -34.93 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.474 -0.33 . . . . 70.51 111.799 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.409 ' O ' ' HD2' ' A' ' 19' ' ' HIS . 29.2 m-20 -111.12 -68.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.137 0.791 . . . . 73.3 113.137 -169.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 60.2 mmtt -79.17 -18.51 52.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.647 0.24 . . . . 50.41 111.647 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.729 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 30.5 tp -43.14 -59.64 3.0 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.871 1.063 . . . . 75.1 113.871 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.4 Cg_endo -78.88 -16.67 12.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.008 1.805 . . . . 61.31 113.319 -172.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 15' ' ' ASN . 88.4 m-70 -92.53 -30.38 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.587 -0.278 . . . . 75.21 111.397 -171.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 34.1 m -79.89 158.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.939 0.4 . . . . 74.12 111.498 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.529 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 6.2 t -77.03 172.77 12.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.624 . . . . 74.3 110.104 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.67 -46.53 85.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 72.04 109.932 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 p -60.96 -46.08 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 72.25 110.732 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.465 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 21.1 m -56.92 -39.59 74.75 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.333 -0.394 . . . . 64.5 110.922 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.0 mtpm? -52.95 -54.17 38.89 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.154 0.502 . . . . 74.15 110.398 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 19.8 mmt180 -66.09 -27.03 67.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.131 -0.94 . . . . 75.3 111.215 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -59.14 -43.91 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.893 -0.41 . . . . 64.32 109.893 170.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -66.4 -44.19 83.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 75.11 110.766 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -55.33 -45.49 76.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.933 0.397 . . . . 70.31 111.034 175.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -65.69 -39.45 91.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.644 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.75 73.77 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.063 -0.517 . . . . 74.04 110.096 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 33.4 t80 -55.23 -44.96 75.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 73.2 112.18 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -68.41 -38.93 81.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.942 -0.303 . . . . 64.55 110.984 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -68.95 -40.3 79.02 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.81 0.338 . . . . 74.32 110.556 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.32 -46.66 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.237 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -60.22 -42.77 95.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 74.42 111.525 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.25 -35.7 81.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 73.23 111.629 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.61 -53.87 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.135 0.493 . . . . 72.55 111.584 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.747 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 69.7 m-85 -96.6 51.22 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 71.21 110.194 -175.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -51.23 -45.41 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.399 -0.819 . . . . 73.24 112.625 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -130.65 35.79 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.13 0.49 . . . . 75.1 110.642 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.747 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 1.3 tpmt? -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.926 -0.579 . . . . 73.15 109.766 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -71.71 156.67 39.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.394 -0.366 . . . . 65.34 111.152 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.66 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 21.2 tp -55.29 -47.46 75.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.679 -0.691 . . . . 73.22 111.58 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.785 ' HA ' HG22 ' A' ' 88' ' ' VAL . 15.0 pttp -87.17 1.11 54.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.02 -0.536 . . . . 63.04 111.338 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.82 9.29 37.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.451 0.643 . . . . 74.11 110.403 -174.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.52 HD12 ' HG2' ' A' ' 42' ' ' LYS . 50.4 mm -69.18 124.28 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.411 -0.813 . . . . 61.51 110.479 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.939 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 20.4 mtpp -95.16 144.36 25.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.378 -0.601 . . . . 70.31 109.378 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -60.26 -34.84 74.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 72.22 111.774 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -70.43 -40.96 73.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.681 0.277 . . . . 65.34 111.401 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.939 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 3.0 mm-40 -63.04 -41.15 99.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.543 0.687 . . . . 71.05 109.484 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HE1' HD11 ' A' ' 75' ' ' ILE . 69.6 t80 -66.84 -35.86 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.44 110.39 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -61.83 -49.59 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 75.44 110.071 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -67.18 -30.9 70.98 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.805 0.336 . . . . 70.51 110.839 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.93 -47.51 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.011 -0.54 . . . . 73.51 110.195 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.568 ' HB3' HD12 ' A' ' 68' ' ' ILE . 94.1 mt -65.31 -35.92 82.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 73.13 110.93 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.508 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -64.14 -37.63 88.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.215 -177.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.19 -39.58 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.538 . . . . 75.22 110.451 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 22.4 t80 -66.45 -34.19 77.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 75.04 110.198 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' HG21 ' A' ' 102' ' ' VAL . . . -75.33 -10.63 84.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.125 -0.56 . . . . 70.42 112.716 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.1 mt -91.37 -21.53 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 75.31 110.679 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -105.42 -28.68 10.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.948 -0.569 . . . . 52.31 111.851 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -126.4 166.01 17.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.094 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -72.02 163.14 28.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.362 -0.381 . . . . 74.42 110.578 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.534 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 83.8 t80 -60.78 -33.86 73.62 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.07 -0.514 . . . . 74.25 111.143 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.03 -38.67 86.31 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.612 -0.435 . . . . 65.33 110.179 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -64.64 -49.87 69.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.792 -0.64 . . . . 74.5 110.609 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.1 tt -65.75 -33.72 65.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.462 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 6.9 ttm180 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.097 0.475 . . . . 73.24 110.174 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -69.69 -37.66 76.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.833 -0.621 . . . . 73.41 111.093 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 tp -52.27 -54.93 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.319 0.581 . . . . 74.23 109.873 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.605 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 14.9 t-20 -57.98 -37.35 74.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.046 -0.979 . . . . 75.42 111.247 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 t -63.02 -42.67 99.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.716 0.293 . . . . 71.14 111.095 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.9 -45.12 90.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.346 0.593 . . . . 74.54 109.875 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.48 HD11 ' HE1' ' A' ' 52' ' ' TYR . 78.2 mt -63.25 -34.71 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.176 -0.92 . . . . 74.44 111.056 -178.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 52.5 mtt180 -60.7 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.678 -0.237 . . . . 73.34 110.48 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -68.19 -33.91 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 71.34 110.645 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.71 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 72.23 110.584 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -65.25 -38.54 90.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 74.23 110.908 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.419 ' HA ' HG21 ' A' ' 83' ' ' ILE . 8.5 t70 -64.33 -40.38 95.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.094 0.473 . . . . 64.14 110.834 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -43.71 92.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.003 -0.544 . . . . 73.35 109.875 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.54 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 64.12 112.071 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG21 ' HA ' ' A' ' 80' ' ' ASP . 14.8 tt -65.86 -31.81 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.758 0.313 . . . . 74.44 110.867 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -64.98 -21.65 66.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.118 0.485 . . . . 64.13 110.167 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.45 -10.17 33.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 75.41 111.052 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.26 21.37 75.76 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 110.992 -0.843 . . . . 55.54 110.992 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -84.42 -24.95 29.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.991 -0.605 . . . . 75.23 109.932 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 45' ' ' LYS . 9.9 p -134.21 164.03 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.594 -0.73 . . . . 62.23 109.288 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 pt -90.22 -167.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.97 0.414 . . . . 52.54 111.369 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -51.97 144.58 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.196 -0.911 . . . . 72.22 111.303 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.423 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 22.0 t-20 -73.8 120.94 83.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.214 -0.903 . . . . 73.05 112.192 -167.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 36.4 Cg_endo -65.84 -15.24 48.21 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.362 2.708 . . . . 62.21 111.905 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -67.84 -4.1 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.718 0.771 . . . . 74.43 110.506 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -54.88 -36.15 64.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.444 -0.798 . . . . 74.52 111.208 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.783 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -106.88 26.63 9.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 62.01 110.185 -176.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.89 107.62 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 45.01 111.85 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 50.7 mt-10 -103.09 114.79 29.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 73.13 110.416 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 56' ' ' LEU . 75.5 mt -88.61 93.06 9.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.759 -0.46 . . . . 72.2 109.759 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.471 ' CD2' ' HB3' ' A' ' 97' ' ' GLU . 61.0 m-70 -99.45 82.66 2.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 73.34 110.864 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.28 102.88 15.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 74.33 109.196 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 t -94.07 9.38 37.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.408 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 60' ' ' GLY . 40.1 t -77.85 81.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.194 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -113.62 102.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.466 -0.788 . . . . 75.21 108.928 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -23.85 27.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.718 -0.674 . . . . 64.24 112.43 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.543 ' O ' ' HB3' ' A' ' 106' ' ' HIS . 33.0 t-80 -80.09 61.99 4.13 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.968 0.359 . . . . 64.41 111.968 -173.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.543 ' HB3' ' O ' ' A' ' 105' ' ' HIS . 8.9 p80 166.81 141.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.241 1.016 . . . . 74.25 108.918 169.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -67.11 132.46 47.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.152 0.501 . . . . 72.53 111.159 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -88.18 153.51 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.465 -0.789 . . . . 72.02 110.014 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -97.55 172.25 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.48 -0.327 . . . . 71.2 110.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t60 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.789 -0.624 . . . . 72.21 109.711 179.271 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 61.22 111.035 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.6 HG22 ' HH ' ' A' ' 87' ' ' TYR . 13.9 tt -156.4 148.06 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.876 -0.786 . . . . 73.12 108.876 175.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 p -67.85 143.61 55.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.867 0.365 . . . . 73.13 110.774 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.531 ' HZ ' HG22 ' A' ' 75' ' ' ILE . 25.8 t80 -62.6 -36.71 83.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.51 111.088 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.49 -0.323 . . . . 44.42 111.375 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.37 -44.8 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 60.54 110.492 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.68 -43.62 89.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.866 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.89 -49.0 79.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 70.55 111.016 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -65.78 -45.34 82.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.413 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.468 ' O ' HG22 ' A' ' 14' ' ' VAL . 28.3 tt0 -59.94 -43.9 94.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 55.01 110.457 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -56.73 -48.26 78.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 73.32 110.74 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.432 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.0 t80 -61.5 -45.81 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.956 176.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.72 ' HG3' HD23 ' A' ' 17' ' ' LEU . 43.1 tt0 -61.49 -39.1 89.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 75.42 111.526 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 10' ' ' GLN . 98.6 t -75.53 -22.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.717 0.294 . . . . 72.54 111.565 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 39.6 m-80 -110.97 -73.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.727 0.64 . . . . 71.41 112.727 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 4.1 mptp? -84.94 -13.27 51.25 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.777 0.658 . . . . 74.21 112.777 -167.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD23 ' HG3' ' A' ' 13' ' ' GLU . 38.7 tp -49.95 -58.34 9.74 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.31 0.856 . . . . 62.23 113.31 -171.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.9 Cg_endo -82.93 18.79 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 121.996 1.797 . . . . 45.23 113.277 -174.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -124.08 -43.05 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.777 0.322 . . . . 73.11 111.154 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.721 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 29.4 m -82.44 147.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.05 0.452 . . . . 62.05 111.606 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.538 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 23.9 m -77.48 171.37 15.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 74.12 110.439 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -34.54 69.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.484 -0.325 . . . . 65.42 111.317 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 p -59.0 -45.83 89.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.432 -0.349 . . . . 74.14 110.758 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.721 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 13.4 m -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 74.24 110.502 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HG3' ' O ' ' A' ' 21' ' ' SER . 51.1 mtpt -58.95 -41.49 87.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 75.31 110.718 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 30.2 mmm180 -65.1 -30.06 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 73.42 111.448 -178.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -64.87 -45.78 84.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 75.44 110.035 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.28 -41.18 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.978 -0.556 . . . . 73.24 111.229 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 37.0 mt-10 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.095 -0.242 . . . . 73.31 110.658 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.867 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 32.5 t -62.54 -45.78 91.41 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.664 -0.495 . . . . 72.35 109.664 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.69 89.88 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.663 -0.699 . . . . 73.13 110.292 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -58.37 -44.39 88.83 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.779 -0.646 . . . . 75.34 111.175 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.867 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 48.6 mtmt -53.71 -51.6 62.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.863 0.363 . . . . 74.23 111.538 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.65 -35.0 79.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.244 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.46 -40.62 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.252 0.549 . . . . 64.11 109.871 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.598 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 48.7 tttp -61.84 -26.24 68.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.214 -0.903 . . . . 71.14 110.894 175.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.38 -47.57 13.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.448 -0.342 . . . . 72.42 111.303 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -87.41 -48.33 8.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.691 0.626 . . . . 74.31 112.691 -173.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 75.0 m-85 -107.59 70.49 0.78 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.241 0.543 . . . . 74.24 110.929 -173.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 57.9 mtt180 -81.44 -36.19 29.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.535 -0.757 . . . . 72.42 112.268 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -134.22 17.68 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 73.42 111.115 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 16.1 ttmm -86.74 118.54 26.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.499 -0.556 . . . . 71.02 109.499 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.66 157.56 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 71.35 111.445 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.1 -31.91 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.375 -0.83 . . . . 65.33 110.653 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -88.4 -9.28 53.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.813 -0.63 . . . . 71.04 111.284 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.3 10.09 39.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.412 0.625 . . . . 74.0 110.357 -172.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.606 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 46.9 mm -77.25 96.53 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.731 -0.668 . . . . 74.31 110.32 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.621 ' HZ3' ' HB2' ' A' ' 48' ' ' LYS . 3.8 ttmp? -70.53 129.92 40.5 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.933 -0.766 . . . . 71.14 108.933 175.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 49' ' ' ARG . 14.5 ptt180 -61.88 -26.44 68.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 75.33 110.932 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 31.1 m -65.83 -38.57 89.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.392 -0.367 . . . . 75.55 110.307 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.728 ' HA ' ' HD2' ' A' ' 54' ' ' LYS . 48.7 mt-10 -71.13 -33.84 70.48 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.318 -0.401 . . . . 64.04 110.299 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CE2' HG21 ' A' ' 93' ' ' THR . 72.6 t80 -67.81 -41.29 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.146 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -62.48 -39.77 94.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 75.34 110.068 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.728 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 59.5 mttm -56.76 -48.65 77.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.204 0.526 . . . . 73.13 110.07 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.565 ' CE2' HD22 ' A' ' 71' ' ' LEU . 85.2 t80 -56.03 -46.33 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.098 -0.955 . . . . 74.14 111.024 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.97 -40.87 95.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 74.34 111.671 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.4 m-20 -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.702 0.287 . . . . 54.13 110.823 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.83 -34.17 69.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.995 0.426 . . . . 71.53 110.692 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.6 -38.23 73.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 74.21 110.103 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.43 -5.41 82.2 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.967 -0.56 . . . . 72.44 112.713 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.67 HD22 ' HB2' ' A' ' 101' ' ' SER . 87.3 mt -91.1 -14.06 31.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 75.11 110.497 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -120.64 -1.98 9.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.187 -0.461 . . . . 63.54 111.879 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.4 m80 -145.38 164.36 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 72.31 111.174 -174.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.4 m -83.09 176.61 9.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 71.31 111.116 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -59.95 -42.32 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.706 -0.679 . . . . 72.32 111.612 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.94 -43.45 98.63 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.864 -0.334 . . . . 74.34 111.585 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -62.13 -45.56 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 75.32 111.039 -175.244 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.99 -34.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.433 -0.349 . . . . 74.44 110.789 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -61.77 -50.09 73.77 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.024 0.44 . . . . 75.05 110.476 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 43.3 mttt -64.58 -42.63 95.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.559 -0.746 . . . . 71.12 110.604 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' A' ' 55' ' ' PHE . 33.7 tp -52.65 -57.34 10.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 75.44 110.952 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -57.72 -40.2 79.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 74.03 111.203 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -61.54 -43.71 98.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 73.22 111.396 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.3 m-85 -63.95 -46.27 85.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.463 0.649 . . . . 75.44 109.762 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.531 HG22 ' HZ ' ' A' ' 4' ' ' PHE . 77.5 mt -65.06 -40.25 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.957 -1.019 . . . . 62.14 111.191 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.405 ' HE ' ' HB ' ' A' ' 93' ' ' THR . 46.2 mtt180 -61.07 -47.72 85.05 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.681 -0.236 . . . . 72.45 111.015 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.16 -37.79 81.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.547 -0.297 . . . . 72.42 111.049 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.87 61.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 61.43 111.273 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.606 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 25.3 m-85 -63.66 -43.26 97.23 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.705 0.288 . . . . 75.54 111.215 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.437 ' HA ' HD13 ' A' ' 83' ' ' ILE . 26.3 t70 -61.18 -34.25 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.151 -0.477 . . . . 62.12 111.036 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.585 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 34.5 t70 -73.78 -34.81 64.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.77 0.319 . . . . 71.01 110.536 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.605 ' HB3' ' HB3' ' A' ' 87' ' ' TYR . . . -61.59 -38.33 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.318 -0.623 . . . . 73.0 109.318 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 79' ' ' PHE . 84.4 mt -65.49 -32.7 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.571 -0.741 . . . . 71.33 110.978 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.585 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 54.5 m170 -55.14 -52.19 64.05 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.356 -0.384 . . . . 74.15 110.987 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -84.83 -27.41 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.384 -0.371 . . . . 74.02 110.51 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.25 54.88 0.69 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.796 -0.716 . . . . 75.25 112.36 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.605 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -89.91 -70.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.981 0.42 . . . . 72.54 110.393 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.89 177.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 64.31 111.471 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.85 -57.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 75.11 110.055 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 4.0 mmtp -163.62 -168.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 71.23 110.013 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -89.86 113.8 58.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.286 -0.416 . . . . 70.44 110.393 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.95 7.55 2.0 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.625 2.883 . . . . 63.11 113.349 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.475 HG21 ' CE2' ' A' ' 52' ' ' TYR . 76.3 p -91.89 16.47 10.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.021 0.439 . . . . 74.25 110.641 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.7 -51.76 68.57 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.617 -0.72 . . . . 75.23 109.997 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -101.99 81.41 2.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.666 -0.697 . . . . 72.23 109.318 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.88 4.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 62.44 110.856 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -118.77 152.57 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.896 0.379 . . . . 73.12 110.338 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 mt -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 72.22 109.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -86.02 65.61 9.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 65.33 111.014 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.26 102.55 0.86 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 64.52 109.871 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.67 ' HB2' HD22 ' A' ' 61' ' ' LEU . 4.5 m -89.65 11.71 18.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 73.22 110.716 -173.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.441 ' HB ' HD13 ' A' ' 103' ' ' LEU . 19.7 t -97.21 -14.97 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.631 -0.713 . . . . 71.01 110.318 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 HD13 ' HB ' ' A' ' 102' ' ' VAL . 6.0 mp -119.72 93.25 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.981 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -146.59 94.11 2.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.837 -0.62 . . . . 74.51 110.136 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -118.86 -39.55 2.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 73.51 109.621 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -153.6 132.28 12.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 72.42 109.723 171.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -130.14 125.0 34.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.047 0.451 . . . . 73.13 110.263 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -123.37 147.44 47.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.703 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -130.03 130.88 45.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.88 -0.6 . . . . 75.03 110.131 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.0 m80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.439 -0.791 . . . . 63.53 109.955 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.291 -0.263 . . . . 73.13 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.605 HG21 ' HE2' ' A' ' 87' ' ' TYR . 14.9 tt -136.29 156.43 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.427 -0.351 . . . . 63.43 110.199 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 64.2 p -75.22 146.85 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.084 -0.339 . . . . 74.32 110.084 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' CZ ' HG22 ' A' ' 75' ' ' ILE . 24.3 t80 -62.51 -36.17 81.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.505 -0.316 . . . . 73.01 111.245 -176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.25 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 73.13 111.054 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.28 -35.03 79.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 64.24 110.521 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.34 -47.43 86.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 72.33 111.007 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.1 -49.27 78.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 75.22 111.006 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -65.58 -41.25 93.1 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.915 -0.314 . . . . 74.24 110.496 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.27 -47.22 85.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 72.21 110.205 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.576 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.9 t90 -55.96 -49.79 72.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 74.53 110.338 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.9 t80 -61.69 -48.34 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.091 -0.504 . . . . 75.52 111.898 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.723 ' HG3' HD21 ' A' ' 17' ' ' LEU . 45.4 tt0 -60.05 -34.57 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 72.35 111.8 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.04 -25.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.837 0.351 . . . . 73.15 111.536 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.2 m-20 -106.06 -37.87 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.312 0.856 . . . . 65.14 113.312 -167.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.5 mmtt -123.36 -17.26 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.49 0.552 . . . . 73.1 112.49 -171.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.731 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.1 tp -49.37 -58.95 7.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 113.339 0.866 . . . . 63.02 113.339 -171.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 4.2 Cg_endo -83.2 7.52 5.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.171 1.914 . . . . 74.05 112.564 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.4 m-70 -109.83 -31.85 7.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 75.31 110.945 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.644 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.2 m -92.89 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 53.33 111.389 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.9 p -78.26 166.51 22.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 61.52 110.215 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.56 -34.24 73.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 74.22 110.897 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 p -61.34 -39.84 92.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.22 -0.446 . . . . 74.05 110.605 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.715 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 29.6 m -74.7 -33.63 62.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 75.42 110.266 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.646 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 12.2 mtpp -55.51 -44.54 76.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.209 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -53.71 -45.31 70.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.421 -0.808 . . . . 65.43 111.263 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.715 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -58.59 -52.33 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.776 0.322 . . . . 73.15 110.852 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -62.0 -48.88 78.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 73.31 111.56 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.23 -39.35 78.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.352 . . . . 74.34 111.796 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.9 m -64.78 -39.85 94.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.833 0.349 . . . . 74.3 110.184 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.56 -45.51 93.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.624 -0.51 . . . . 72.4 109.624 175.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -57.15 -35.22 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.316 -0.857 . . . . 74.5 111.288 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -43.04 95.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.598 0.237 . . . . 71.11 111.131 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -65.02 -35.97 82.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.114 0.483 . . . . 75.41 109.855 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 31' ' ' ALA . 89.6 mt -70.54 -45.12 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.87 -0.605 . . . . 71.32 110.672 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.62 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.947 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -83.17 -36.83 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.605 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -83.7 -57.19 3.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 74.4 111.307 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.746 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 93.6 m-85 -89.81 50.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.921 -0.581 . . . . 62.42 111.183 -171.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -62.8 107.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.426 -0.806 . . . . 75.14 110.369 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.515 ' HA ' HG22 ' A' ' 3' ' ' THR . 6.4 m170 66.05 13.47 9.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.951 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.746 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 38.7 tttp -86.04 123.57 31.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.611 -0.268 . . . . 74.53 110.296 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 57.6 mt -72.03 151.9 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 74.5 110.274 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' A' ' 88' ' ' VAL . 2.5 pt? -71.04 -15.54 62.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.299 -0.41 . . . . 71.31 111.229 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.7 ' HB3' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -97.39 11.55 36.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 64.43 112.153 -177.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 3.8 p30 -127.67 13.79 6.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.238 0.542 . . . . 70.45 109.97 170.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 39' ' ' PHE . 34.2 mm -74.34 112.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 74.41 109.483 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -82.82 164.96 20.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.745 0.307 . . . . 61.32 110.285 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HG2' ' HB3' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -68.61 -35.48 77.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.607 -0.516 . . . . 52.02 109.607 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 p -70.64 -38.61 73.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.273 -0.876 . . . . 75.22 111.181 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -64.62 -39.14 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.148 0.499 . . . . 72.24 110.266 175.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' CE2' HG22 ' A' ' 93' ' ' THR . 33.3 t80 -69.44 -38.87 78.02 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 74.51 110.393 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.32 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 15.5 ptpt -68.01 -29.34 68.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.003 0.43 . . . . 73.31 110.302 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 71' ' ' LEU . 89.5 t80 -65.16 -44.75 87.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.651 173.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.28 -39.29 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 74.23 110.983 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.72 -38.99 83.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 65.44 111.142 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.61 -41.25 63.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.189 0.519 . . . . 75.21 110.563 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.92 -33.78 76.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.962 -0.563 . . . . 75.31 110.398 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.5 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -75.77 -8.29 84.35 Favored Glycine 0 C--O 1.228 -0.238 0 CA-C-N 116.016 -0.538 . . . . 65.2 112.829 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 101' ' ' SER . 91.1 mt -91.15 -23.29 20.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.078 0.466 . . . . 70.12 110.595 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -104.27 -34.19 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.686 -0.688 . . . . 73.14 112.024 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -121.27 165.24 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.352 . . . . 73.43 111.241 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 p -75.88 173.85 10.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.79 -0.641 . . . . 75.43 111.781 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.86 -47.14 84.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 74.04 111.906 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 9.0 tt0 -61.5 -37.12 82.53 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.384 -0.526 . . . . 62.25 110.279 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 m -66.29 -46.27 77.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 71.21 110.871 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -71.15 -34.19 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 63.24 110.585 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HA ' HD21 ' A' ' 98' ' ' LEU . 63.2 ttt180 -61.39 -44.76 96.6 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.067 0.46 . . . . 74.12 110.212 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 20.7 mtpt -69.65 -36.8 76.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.665 -0.698 . . . . 64.33 110.904 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.552 HD23 ' CE2' ' A' ' 55' ' ' PHE . 22.7 tp -53.31 -52.87 57.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.032 0.444 . . . . 75.21 110.666 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -55.16 -41.27 71.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.452 -0.794 . . . . 53.31 110.489 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -63.21 -42.73 99.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.855 -0.611 . . . . 73.24 111.141 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -62.89 -52.94 61.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 73.41 110.417 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.4 HG22 ' CZ ' ' A' ' 4' ' ' PHE . 70.0 mt -65.44 -43.98 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.567 -0.742 . . . . 75.2 111.361 -175.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.58 -38.95 89.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.591 -0.277 . . . . 74.21 110.542 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -64.75 -40.5 95.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.98 0.419 . . . . 75.13 110.018 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.48 90.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 52.44 111.221 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.07 -31.77 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.346 . . . . 73.41 111.227 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 18.9 t70 -58.06 -34.67 70.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.464 175.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -76.43 -42.48 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 74.43 110.573 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.77 -44.38 81.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.081 -0.509 . . . . 72.32 110.962 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.403 HG23 HD13 ' A' ' 83' ' ' ILE . 10.9 tt -74.31 -33.26 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.091 0.472 . . . . 72.51 110.365 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.9 t-80 -63.65 -31.93 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 74.22 109.779 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.36 -48.85 12.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.122 -0.944 . . . . 65.4 109.356 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.2 12.72 11.66 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.069 -1.212 . . . . 75.3 110.069 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.605 ' HE2' HG21 ' A' ' 2' ' ' ILE . 5.4 t80 -69.83 -37.56 76.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.661 -0.77 . . . . 75.14 109.721 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.7 HG23 ' HB3' ' A' ' 45' ' ' LYS . 47.1 t -132.83 131.56 59.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.222 -0.899 . . . . 61.11 108.656 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.54 -33.06 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.233 0.457 . . . . 70.13 112.233 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 74.31 110.805 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.4 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 14.6 p-10 -94.51 138.88 22.23 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.932 -0.576 . . . . 72.43 111.103 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 36.4 Cg_exo -63.09 -19.66 69.42 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.719 2.946 . . . . 73.52 113.198 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.409 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.3 p -75.05 68.48 1.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.663 0.744 . . . . 52.32 110.557 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 64.1 t80 -106.9 -45.23 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.073 -0.967 . . . . 63.25 110.76 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -134.72 28.33 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.442 . . . . 74.55 110.786 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.04 134.99 55.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 75.13 111.793 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -116.53 137.04 52.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.486 -0.779 . . . . 75.54 110.528 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' A' ' 69' ' ' ARG . 70.3 mt -76.45 97.01 4.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.935 -0.765 . . . . 72.1 108.935 171.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -113.78 90.6 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.967 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.07 124.79 50.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.03 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.615 ' HB3' HD21 ' A' ' 61' ' ' LEU . 38.2 t -103.66 9.29 37.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.231 0.538 . . . . 65.11 109.997 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 60' ' ' GLY . 38.1 t -81.6 80.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 74.41 109.921 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -97.2 110.66 23.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.713 -0.676 . . . . 71.53 109.635 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.6 -48.47 81.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.997 0.427 . . . . 64.52 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.42 96.29 9.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 71.33 110.437 -175.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -82.83 134.12 35.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.336 . . . . 72.14 110.128 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -73.37 -19.7 60.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.959 0.409 . . . . 74.33 110.445 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -155.43 176.52 12.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.564 . . . . 74.44 110.343 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -92.53 159.2 15.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.162 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.337 -0.84 . . . . 72.35 109.509 178.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HE3' HG12 ' A' ' 88' ' ' VAL . 4.5 mmt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.036 0.446 . . . . 73.34 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.609 HG21 ' HD1' ' A' ' 7' ' ' TYR . 14.5 tt -132.56 153.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.653 -0.703 . . . . 53.13 110.084 -176.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.609 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.6 p -70.47 148.86 47.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.272 -0.27 . . . . 73.53 110.272 177.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.445 ' HZ ' HG21 ' A' ' 75' ' ' ILE . 18.8 t80 -60.29 -38.68 84.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 75.31 110.771 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.23 69.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 64.52 111.17 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.38 -33.28 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.6 -0.273 . . . . 64.51 111.111 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.609 ' HD1' HG21 ' A' ' 2' ' ' ILE . 49.5 t80 -63.59 -43.03 98.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.847 -0.427 . . . . 74.31 109.847 177.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.93 -44.82 95.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.613 -0.721 . . . . 73.5 110.294 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -65.11 -47.2 78.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 72.4 110.72 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.21 -51.56 69.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.006 -0.543 . . . . 73.31 110.153 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -52.35 -45.39 65.67 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.217 -0.901 . . . . 75.34 110.952 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.635 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.2 t80 -65.7 -58.07 6.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.915 -0.584 . . . . 74.43 111.693 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.13 -38.17 82.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 75.33 111.933 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.69 -21.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.109 0.411 . . . . 64.41 112.109 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -124.52 -55.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.501 0.926 . . . . 72.21 113.501 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.4 mmtt -80.57 -12.07 59.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.273 0.472 . . . . 73.44 112.273 -167.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.595 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 46.1 tp -47.35 -55.41 16.29 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.391 0.885 . . . . 73.33 113.391 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.595 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 88.8 Cg_endo -80.99 8.05 4.56 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.79 1.66 . . . . 70.42 113.559 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -119.82 -1.22 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.673 0.273 . . . . 71.11 111.343 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.783 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.9 m -113.13 159.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.926 0.394 . . . . 73.21 111.294 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 89.2 p -97.05 177.09 5.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.195 -0.669 . . . . 73.31 109.195 174.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.68 -32.09 73.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.701 -0.481 . . . . 75.54 109.701 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.792 -0.64 . . . . 72.42 109.393 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.783 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 3.1 m -62.64 -40.11 95.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.3 110.317 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.635 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 97.6 mttt -56.8 -51.03 70.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.242 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.82 -33.72 70.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.859 -0.61 . . . . 74.25 111.542 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 24' ' ' THR . 54.1 m-70 -59.75 -51.44 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 74.32 110.389 172.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.03 -43.77 98.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 72.33 111.252 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.12 -44.06 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 64.11 110.952 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.902 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 50.6 m -62.31 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.43 110.48 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.41 -53.11 61.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 74.32 110.318 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -56.24 -44.71 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.796 . . . . 71.21 111.975 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.902 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 65.1 pttt -71.69 -31.89 67.25 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.08 -0.248 . . . . 74.01 111.589 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -75.73 -33.14 60.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.851 0.358 . . . . 75.33 110.491 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.9 mt -63.06 -51.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 63.13 110.69 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 18.7 ptpt -65.42 -27.28 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 74.13 110.792 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -58.5 -47.85 82.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.22 -0.445 . . . . 72.43 110.766 176.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -86.78 -46.61 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.702 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.641 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 77.0 m-85 -98.69 67.08 1.7 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.281 0.562 . . . . 74.02 111.56 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.52 115.67 10.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.725 -0.671 . . . . 75.43 110.629 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 m170 61.22 19.11 9.78 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.226 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.641 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -93.49 116.27 28.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.116 0.484 . . . . 72.12 111.252 -171.638 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.609 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 61.1 mt -60.7 145.7 48.39 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.349 -0.842 . . . . 74.53 109.834 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.83 ' HA ' HD13 ' A' ' 47' ' ' ILE . 2.5 pt? -67.13 -14.64 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 74.52 111.23 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -76.23 -15.58 60.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 74.2 110.68 176.536 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 10.7 t70 -95.19 -5.32 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 75.4 110.078 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.83 HD13 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mp -84.68 103.23 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 71.13 109.661 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB2' ' OE1' ' A' ' 51' ' ' GLU . 10.4 mtmp? -95.16 150.67 19.95 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.328 -0.619 . . . . 73.42 109.328 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 2.9 ptp180 -56.35 -24.68 45.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.537 0.569 . . . . 70.1 112.537 -174.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 p -70.13 -39.48 75.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.422 -0.354 . . . . 74.42 111.403 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' OE1' ' HB2' ' A' ' 48' ' ' LYS . 3.6 mp0 -76.2 -32.17 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.191 0.52 . . . . 41.04 109.773 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 75' ' ' ILE . 44.2 t80 -60.54 -40.34 91.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 73.23 110.547 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -63.3 -37.71 88.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 65.13 110.367 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.22 -38.75 92.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.022 0.439 . . . . 73.1 110.292 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' CE2' HD22 ' A' ' 71' ' ' LEU . 75.3 t80 -62.02 -50.78 70.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.758 -0.655 . . . . 74.44 110.384 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' HB3' HD12 ' A' ' 68' ' ' ILE . 87.0 mt -62.35 -33.63 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.566 . . . . 73.23 110.781 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.595 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -58.73 -53.45 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 61.43 110.363 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.31 -39.47 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.177 0.513 . . . . 70.51 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -69.63 -38.6 77.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.909 -0.587 . . . . 73.25 110.69 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.21 -12.91 84.16 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.112 -0.495 . . . . 63.2 112.834 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -86.81 -15.98 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.919 0.39 . . . . 73.15 110.484 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -115.03 -20.43 10.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 73.44 112.492 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -123.5 170.57 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.892 0.377 . . . . 62.31 111.539 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -72.26 164.77 25.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.65 -0.705 . . . . 60.44 110.831 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.82 -46.69 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 74.51 111.373 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 25.6 tt0 -69.55 -28.21 65.8 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.711 -0.396 . . . . 63.42 110.699 -176.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -63.41 -48.86 76.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.584 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.4 tt -73.68 -34.56 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.99 0.424 . . . . 65.32 110.411 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HA ' HD12 ' A' ' 98' ' ' LEU . 63.2 ttt180 -57.76 -49.63 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.538 . . . . 74.32 110.736 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.5 ttmt -69.87 -35.9 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.786 -0.643 . . . . 74.35 110.105 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' A' ' 55' ' ' PHE . 29.4 tp -55.78 -52.56 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.846 -0.616 . . . . 75.4 110.666 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -56.12 -39.68 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 73.51 110.784 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 t -62.45 -42.61 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.454 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 22.6 m-85 -59.56 -54.04 51.11 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.214 0.53 . . . . 74.13 110.443 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.445 HG21 ' HZ ' ' A' ' 4' ' ' PHE . 77.2 mt -63.88 -43.43 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 74.14 111.753 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.758 ' HB3' HG23 ' A' ' 93' ' ' THR . 3.8 ptm180 -63.92 -36.98 85.72 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.763 -0.375 . . . . 75.24 110.511 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.35 -31.5 63.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.41 110.385 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.72 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.518 . . . . 60.23 110.347 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.45 -30.81 62.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 75.53 110.8 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.589 ' HA ' HG21 ' A' ' 83' ' ' ILE . 15.1 t70 -60.14 -33.06 71.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.394 0.616 . . . . 75.32 109.498 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.5 -48.34 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.359 -0.837 . . . . 72.43 110.059 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB1' HG23 ' A' ' 88' ' ' VAL . . . -65.56 -38.56 89.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 71.32 112.107 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.589 HG21 ' HA ' ' A' ' 80' ' ' ASP . 11.0 tt -73.47 -33.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 74.04 110.932 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -61.88 -28.88 69.82 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.426 0.631 . . . . 75.21 109.609 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.67 -48.46 7.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.079 -0.964 . . . . 52.53 109.868 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.96 37.93 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.417 -1.073 . . . . 73.22 110.417 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.455 ' OH ' ' HA ' ' A' ' 1' ' ' MET . 28.2 t80 -86.19 -46.55 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.973 -0.613 . . . . 75.41 111.433 -173.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' ' 44' ' ' LEU . 17.9 m -135.86 -158.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 70.22 110.64 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.432 ' H ' ' HB ' ' A' ' 88' ' ' VAL . 25.2 pt -61.57 168.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.559 178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -56.91 -67.6 0.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.688 -0.687 . . . . 74.44 111.588 -175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.68 139.41 1.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.527 -0.306 . . . . 71.41 110.412 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.565 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 87.3 Cg_endo -79.39 -16.27 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.709 2.273 . . . . 75.21 112.764 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 76' ' ' ARG . 69.9 p -77.21 0.21 22.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 64.51 110.791 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.37 -35.67 76.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 75.44 111.157 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.515 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 71.3 mmtt -120.12 28.89 7.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.453 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.37 153.74 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.086 0.469 . . . . 75.41 111.37 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -145.38 144.28 30.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.48 -0.782 . . . . 72.55 109.792 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 69' ' ' ARG . 79.0 mt -104.54 36.55 2.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 74.3 112.082 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -77.91 92.2 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.647 -0.421 . . . . 74.11 110.985 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.68 110.55 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.779 -0.646 . . . . 37.7 110.041 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 61' ' ' LEU . 24.5 m -85.01 25.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.933 0.397 . . . . 63.33 111.35 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.29 -32.76 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.057 0.456 . . . . 75.32 110.352 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -121.95 151.08 41.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.063 -0.517 . . . . 73.13 110.096 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -87.18 129.48 34.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.284 0.564 . . . . 75.3 110.599 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -97.5 -23.91 15.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.427 -0.806 . . . . 75.34 110.149 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -90.11 97.43 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.09 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -102.1 155.62 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.305 -0.407 . . . . 71.52 111.251 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -170.29 138.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.709 -0.678 . . . . 74.41 109.68 178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -86.37 -27.83 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 73.42 110.218 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.43 -0.795 . . . . 74.11 109.459 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.827 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 11.1 mmt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.749 -0.463 . . . . 75.31 109.749 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.515 HG23 ' OH ' ' A' ' 87' ' ' TYR . 11.0 tp -83.63 144.06 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.155 0.503 . . . . 74.33 110.189 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -76.45 150.82 36.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.747 -0.661 . . . . 61.25 111.031 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.484 ' HD1' HD12 ' A' ' 44' ' ' LEU . 17.8 t80 -58.09 -46.87 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 74.43 111.355 -175.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.95 74.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.973 0.416 . . . . 63.51 111.212 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.09 -44.99 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 61.13 110.951 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.5 ' HD1' HG21 ' A' ' 2' ' ' ILE . 63.9 t80 -61.8 -47.22 86.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.46 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.63 -52.78 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 75.02 111.609 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -71.79 -38.55 70.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 74.31 111.183 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -63.71 -44.39 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.126 0.489 . . . . 73.45 110.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -52.71 -45.11 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.377 -0.829 . . . . 73.13 110.143 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 17.6 t80 -66.24 -49.11 68.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.431 -0.804 . . . . 74.55 111.229 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.859 ' HG3' HD23 ' A' ' 17' ' ' LEU . 42.8 tt0 -57.2 -47.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 73.22 111.934 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.85 -28.33 42.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.534 -0.303 . . . . 75.11 111.582 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -111.52 -67.22 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.785 0.661 . . . . 74.43 112.785 -169.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.0 mptp? -88.57 -26.08 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.367 0.506 . . . . 74.34 112.367 -169.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.859 HD23 ' HG3' ' A' ' 13' ' ' GLU . 15.3 tp -42.75 -59.51 2.91 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 114.05 1.13 . . . . 73.32 114.05 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.688 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 14.7 Cg_endo -87.83 15.02 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.129 1.886 . . . . 72.13 113.303 -171.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -124.39 0.95 8.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.955 0.407 . . . . 74.44 110.717 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.654 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 14.1 m -121.48 153.3 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.113 -0.494 . . . . 73.25 110.451 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -93.77 178.22 5.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 73.31 110.073 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.4 mm-40 -49.66 -37.59 29.05 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.269 0.355 . . . . 73.02 111.411 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -50.73 -50.32 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 75.2 111.31 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.654 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 4.1 m -78.24 -33.47 49.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.223 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.739 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 8.6 mtpm? -63.17 -41.04 99.17 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.973 -0.558 . . . . 54.4 111.437 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.8 mtt180 -54.06 -37.76 64.53 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.112 0.258 . . . . 75.24 111.255 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -72.48 -44.94 61.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.358 -0.383 . . . . 71.14 110.508 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.27 -44.47 87.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.607 -0.27 . . . . 74.22 111.584 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.25 -42.68 99.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.86 0.362 . . . . 63.05 110.278 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.539 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 11.2 t -68.42 -36.6 79.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.185 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.17 68.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 75.12 110.162 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.488 -0.778 . . . . 75.31 111.721 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 22.3 ptmt -64.31 -38.7 91.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.597 -0.441 . . . . 54.53 111.173 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 30' ' ' SER . 82.1 m-70 -73.53 -39.44 64.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.958 -0.297 . . . . 64.32 110.723 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.18 -49.46 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 CA-C-O 120.757 0.313 . . . . 71.11 110.227 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 25.1 ttmt -59.83 -29.56 68.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 74.34 111.213 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.32 -44.86 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.044 -0.525 . . . . 74.24 111.502 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -88.0 -42.59 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 74.51 111.575 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -114.25 90.26 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.373 0.606 . . . . 74.11 109.66 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 38.3 mtp85 -91.76 -50.25 5.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.389 -0.823 . . . . 73.25 111.109 -171.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -120.2 14.07 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 75.44 110.839 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -78.05 132.1 37.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 74.3 109.433 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.787 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 77.9 mt -71.61 162.36 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 74.11 110.386 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 HD12 ' HD1' ' A' ' 4' ' ' PHE . 40.6 tp -61.02 -52.89 63.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.27 0.557 . . . . 72.11 110.92 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HB3' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -74.24 -7.25 52.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 74.33 110.945 -178.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.787 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.8 t70 -99.22 12.55 35.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 63.02 110.596 -169.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.7 mm -83.08 112.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 71.33 110.209 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -75.18 129.52 37.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 62.02 110.511 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -53.39 -31.27 44.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.405 -0.816 . . . . 64.21 111.758 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 4.1 p -70.37 -43.77 69.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 74.04 111.078 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 26.2 mm-40 -66.91 -33.89 76.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.276 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -62.9 -34.82 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.621 -0.718 . . . . 75.24 110.281 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 50' ' ' THR . 6.6 tp-100 -55.91 -45.02 78.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.572 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.619 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.26 -46.2 81.44 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.625 -0.261 . . . . 75.2 110.628 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE2' HD22 ' A' ' 71' ' ' LEU . 72.4 t80 -54.47 -39.6 67.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 70.55 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 96' ' ' ALA . 73.8 mt -74.07 -43.76 56.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.099 -0.5 . . . . 62.55 111.766 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 p30 -73.08 -24.83 60.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.426 -0.51 . . . . 74.54 111.557 -176.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.04 -35.36 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.411 0.624 . . . . 63.22 109.64 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.21 -36.16 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.613 -0.722 . . . . 75.44 110.549 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.33 -3.54 77.2 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.995 -0.548 . . . . 71.52 113.678 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 94.1 mt -90.17 -34.34 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.02 0.438 . . . . 75.23 110.112 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -90.99 -38.46 12.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.363 0.601 . . . . 71.1 111.108 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -115.26 143.76 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 72.52 109.648 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 t -77.46 -178.98 5.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 72.41 111.351 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.9 t80 -57.57 -41.37 80.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.471 -0.786 . . . . 75.34 111.917 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.49 -45.19 92.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.889 0.376 . . . . 70.15 111.242 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -72.36 -41.82 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.408 -177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.457 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.0 tt -67.0 -33.98 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 110.068 -0.345 . . . . 53.42 110.068 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -60.07 -46.4 89.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.008 0.433 . . . . 72.41 110.069 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -58.26 -50.31 74.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 61.41 110.472 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 55' ' ' PHE . 47.1 tp -52.41 -53.29 47.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 74.14 111.066 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.81 -38.32 84.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 74.11 110.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.41 111.089 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -65.31 -48.5 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 74.32 110.011 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.81 -48.18 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 75.34 111.082 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 76' ' ' ARG . 22.3 ttt180 -66.5 -33.45 75.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.273 -0.421 . . . . 42.34 110.973 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -40.04 76.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.248 -0.279 . . . . 63.31 110.248 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.64 97.09 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 64.51 110.689 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.19 -36.62 82.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.42 111.033 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 83' ' ' ILE . 24.2 t70 -62.29 -41.85 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.668 -0.242 . . . . 64.34 110.63 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 53.15 110.494 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.54 -48.56 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 71.24 111.296 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 80' ' ' ASP . 15.0 tt -65.69 -31.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 74.23 110.239 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.3 t-80 -59.03 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 73.14 110.443 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.93 -16.14 25.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.861 -0.609 . . . . 73.32 110.555 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.01 11.91 58.26 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.986 -0.626 . . . . 36.9 111.809 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.515 ' OH ' HG23 ' A' ' 2' ' ' ILE . 22.8 t80 -71.61 -36.78 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 74.24 111.302 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 45' ' ' LYS . 27.7 m -115.65 145.8 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.762 0.315 . . . . 75.04 110.371 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 90' ' ' LYS . 7.2 tp -79.39 -50.69 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 72.52 111.429 -176.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG23 ' A' ' 89' ' ' ILE . 97.1 mttt -142.29 159.09 42.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.769 -0.456 . . . . 74.24 109.769 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.11 143.54 26.3 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 53.42 110.875 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.71 -17.26 37.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.898 2.399 . . . . 61.0 112.594 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -75.39 76.08 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.432 0.634 . . . . 73.33 110.084 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -143.48 -62.44 0.4 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 73.14 109.934 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -96.15 25.23 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.772 0.796 . . . . 75.23 109.555 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.53 ' HB3' HD13 ' A' ' 56' ' ' LEU . . . -135.75 145.09 46.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.047 -0.979 . . . . 72.02 110.163 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' HB2' ' A' ' 99' ' ' HIS . 8.9 pt-20 -135.58 170.27 16.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.32 -177.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.38 70.22 7.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.235 0.541 . . . . 44.42 109.865 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.437 ' HB2' ' HG3' ' A' ' 97' ' ' GLU . 7.9 t60 -93.55 65.78 3.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.746 -0.661 . . . . 62.42 110.266 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.5 168.73 19.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 74.5 109.925 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -145.39 -64.57 0.33 Allowed 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.929 -0.309 . . . . 72.12 111.061 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t 52.15 67.32 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 122.115 0.96 . . . . 63.03 109.943 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -118.08 -158.12 0.7 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.065 -0.971 . . . . 63.42 109.796 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -101.48 159.91 14.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.601 -0.518 . . . . 63.41 109.601 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -128.21 29.85 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.404 0.621 . . . . 73.43 109.961 171.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -100.97 -49.13 4.21 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.26 -0.882 . . . . 73.34 110.354 170.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -65.2 -42.87 93.14 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.542 -0.54 . . . . 71.2 109.542 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -104.96 94.58 5.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.522 -1.288 . . . . 71.55 107.522 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -63.81 155.91 28.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 73.04 112.683 -167.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.039 -0.982 . . . . 71.51 108.742 174.571 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.816 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 6.2 mmt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.98 0.419 . . . . 62.43 110.457 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -90.48 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.889 -0.596 . . . . 72.42 110.804 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 41' ' ' HIS . 0.8 OUTLIER -70.52 141.31 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.842 -0.617 . . . . 72.32 110.857 176.16 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -59.85 -41.51 91.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.45 111.766 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.07 73.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.147 0.499 . . . . 71.33 110.83 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.6 -38.91 81.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.6 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -59.82 -46.53 88.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.837 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -58.91 -49.23 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.912 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 74.25 110.554 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.33 -47.59 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 73.45 110.418 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -53.96 -41.3 67.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 74.22 110.092 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.485 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 31.3 t80 -65.15 -57.95 7.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.942 -0.572 . . . . 73.25 110.707 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.54 -41.87 63.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.561 0.538 . . . . 61.22 112.24 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.72 -36.19 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.581 -0.282 . . . . 73.22 111.512 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.825 0.345 . . . . 73.11 111.594 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 107.25 16.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.34 -0.615 . . . . 73.52 109.34 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.913 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 27.4 tp -151.4 -61.95 0.02 OUTLIER Pre-proline 0 C--N 1.315 -0.891 0 C-N-CA 120.128 -0.629 . . . . 63.25 111.047 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.913 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.2 Cg_endo -85.13 -3.78 9.58 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.904 1.736 . . . . 73.42 111.426 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -104.22 -1.16 27.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.773 -0.649 . . . . 61.44 111.327 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.98 165.63 21.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.503 -0.317 . . . . 73.33 110.787 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -90.82 166.09 13.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.138 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.5 pt-20 -61.06 -29.21 69.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.622 -0.263 . . . . 71.22 110.635 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 p -60.59 -43.42 97.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.198 0.523 . . . . 73.33 110.194 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -64.2 -37.41 87.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.41 110.152 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.69 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 7.5 mtpm? -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 73.21 110.078 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 79.7 mtt180 -58.99 -37.86 77.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 73.21 111.041 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -60.92 -54.02 50.12 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.918 0.39 . . . . 73.31 110.881 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -62.67 -40.64 97.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.645 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.92 -36.35 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.455 0.169 . . . . 71.13 111.163 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.631 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 66.8 m -65.58 -39.06 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.412 . . . . 71.03 109.925 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.81 -51.22 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.639 . . . . 55.13 110.024 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.31 -44.1 79.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.166 -0.925 . . . . 75.33 112.166 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 63.8 pttt -69.99 -32.25 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.838 -0.345 . . . . 74.3 111.147 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -75.92 -32.6 59.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.881 0.372 . . . . 74.34 110.393 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.1 mt -63.06 -47.15 94.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.515 -0.55 . . . . 70.13 109.515 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.3 ttmt -64.06 -28.06 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 70.52 110.639 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.98 -42.95 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.874 -0.603 . . . . 75.23 111.178 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -87.32 -48.38 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 74.02 111.22 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -114.66 82.35 1.71 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.459 -0.571 . . . . 73.52 109.459 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 24.7 mtm180 -59.43 -39.6 84.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.807 -173.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.429 ' HB2' HG22 ' A' ' 3' ' ' THR . 0.6 OUTLIER -156.24 57.76 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.876 0.846 . . . . 72.11 110.306 174.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.57 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -89.79 142.59 27.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 72.31 108.6 177.097 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.826 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 90.5 mt -68.71 160.46 30.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.661 0.267 . . . . 64.12 110.862 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.8 -43.04 90.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 64.04 111.455 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.498 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 39.9 pttt -93.6 14.58 18.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.084 0.469 . . . . 74.43 110.435 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.826 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t0 -106.99 6.36 29.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.618 0.723 . . . . 65.42 109.962 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.57 HD13 ' HG2' ' A' ' 42' ' ' LYS . 27.0 mm -92.97 109.89 22.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.334 -0.848 . . . . 74.23 110.156 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.89 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 88.8 mttt -74.77 149.97 39.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 72.53 110.537 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 12.3 ptt180 -66.71 -33.83 76.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 74.23 110.545 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 12.7 p -70.88 -33.82 70.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 72.42 111.404 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.89 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 10.1 mm-40 -68.7 -37.3 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.406 0.622 . . . . 75.12 109.42 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.45 -35.7 80.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 72.22 110.33 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -60.81 -44.09 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 71.41 110.371 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 50' ' ' THR . 50.3 mttm -64.44 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.238 0.542 . . . . 72.01 110.276 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CE2' HD22 ' A' ' 71' ' ' LEU . 77.9 t80 -63.44 -49.12 74.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.413 -0.812 . . . . 72.24 110.551 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.91 -39.83 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 72.13 110.872 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.549 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 14.8 t-20 -57.51 -50.06 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 73.44 110.59 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.28 -39.43 86.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.074 -0.512 . . . . 63.52 111.156 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -66.65 -35.11 79.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 71.14 110.544 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' O ' HG22 ' A' ' 102' ' ' VAL . . . -76.72 -12.0 84.85 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.077 -0.583 . . . . 44.41 112.61 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 91.4 mt -90.48 -14.59 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.893 0.378 . . . . 61.44 110.485 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -114.4 -25.33 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.516 . . . . 55.43 112.257 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.42 159.88 33.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 73.45 110.805 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.7 m -67.76 165.97 16.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 61.41 111.943 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.519 ' HB2' HD11 ' A' ' 103' ' ' LEU . 84.1 t80 -59.37 -43.65 92.85 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.529 -0.759 . . . . 74.34 111.992 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 16.9 mt-10 -70.25 -28.29 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.2 -0.6 . . . . 75.34 111.243 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -66.99 -48.29 68.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.325 -0.398 . . . . 73.42 110.227 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.42 HG21 ' HB2' ' A' ' 100' ' ' ALA . 9.6 tt -71.38 -34.65 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.566 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -64.37 -44.2 92.13 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.142 -0.318 . . . . 75.01 110.142 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -61.5 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.505 -0.554 . . . . 63.02 109.505 177.238 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 ' CE2' ' A' ' 55' ' ' PHE . 28.2 tp -52.82 -54.82 28.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.658 -0.701 . . . . 74.32 111.061 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 63.9 t30 -56.24 -40.16 73.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.471 -0.786 . . . . 52.23 110.489 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 m -63.34 -40.97 98.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.87 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -64.67 -49.1 72.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.95 0.405 . . . . 75.55 110.803 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.71 -40.41 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.619 . . . . 73.3 111.204 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.541 ' HA ' HG23 ' A' ' 93' ' ' THR . 19.6 mtp180 -62.42 -44.24 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.254 -0.276 . . . . 64.42 110.254 175.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.72 -35.17 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 62.42 110.587 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.76 15.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 62.12 111.458 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -66.64 -34.06 77.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.63 -0.259 . . . . 71.42 111.37 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.576 ' O ' HG23 ' A' ' 83' ' ' ILE . 26.4 t70 -64.81 -37.33 87.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 65.41 109.841 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.656 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 27.9 t0 -71.03 -34.22 71.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.454 . . . . 73.24 110.304 177.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -66.41 -43.89 84.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 74.12 110.876 176.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -65.59 -28.66 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 71.52 110.797 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.656 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 40.0 m170 -54.12 -34.51 60.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.137 0.494 . . . . 73.13 110.019 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -94.04 -15.63 24.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.802 -0.635 . . . . 64.41 111.019 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 19.44 60.5 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.952 -0.859 . . . . 50.13 110.952 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.504 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -61.82 -37.85 85.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.496 . . . . 72.33 109.99 -178.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.52 162.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 74.04 110.789 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 90' ' ' LYS . 7.8 tp -139.8 141.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.803 -0.814 . . . . 62.23 108.803 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 89' ' ' ILE . 59.2 mttp 58.82 44.89 16.22 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.284 0.564 . . . . 71.34 109.79 -175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.0 148.68 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.074 -0.967 . . . . 73.24 111.862 -175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 18.5 Cg_endo -59.09 -25.73 79.01 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.401 2.734 . . . . 75.33 113.508 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.541 HG23 ' HA ' ' A' ' 76' ' ' ARG . 23.3 p -79.46 6.16 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.473 . . . . 74.01 111.305 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.97 -44.44 94.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.761 . . . . 75.23 110.262 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -131.17 98.22 4.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 73.33 110.17 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.46 47.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 74.23 110.728 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.29 153.75 50.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 109.917 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -99.04 96.13 7.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 71.11 111.033 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -95.65 80.74 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.015 -0.539 . . . . 64.2 109.928 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 68' ' ' ILE . . . -108.04 108.99 20.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 72.34 110.718 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m -85.72 -7.76 58.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.28 0.562 . . . . 71.45 109.878 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 60' ' ' GLY . 12.3 t -83.84 74.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 74.43 110.241 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 65' ' ' TYR . 35.3 mt -150.18 103.47 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.33 -0.85 . . . . 65.13 110.142 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -103.94 146.1 29.16 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.887 -0.412 . . . . 74.31 109.887 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.25 -34.15 10.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.285 -0.416 . . . . 72.4 111.557 -171.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.89 145.98 30.92 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.495 -0.482 . . . . 73.03 110.535 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -77.22 124.62 28.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 74.03 110.611 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -135.0 121.59 20.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 75.22 109.207 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -133.98 118.11 17.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 74.03 110.575 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.9 t60 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.617 -0.706 . . . . 73.25 110.041 178.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.687 ' SD ' ' HD3' ' A' ' 45' ' ' LYS . 77.0 mtm . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.969 0.414 . . . . 73.24 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' A' ' 7' ' ' TYR . 14.8 tt -98.17 155.28 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 72.31 110.571 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 34.1 p -63.47 142.69 58.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.486 -0.324 . . . . 74.43 110.461 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.56 -43.13 97.62 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.099 0.249 . . . . 72.44 111.642 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -56.19 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.301 . . . . 71.03 111.213 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 34.7 t70 -63.37 -34.61 78.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.991 -0.549 . . . . 72.4 110.55 -177.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.477 ' HB2' HG21 ' A' ' 2' ' ' ILE . 82.2 t80 -64.9 -44.42 89.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.952 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -58.7 -49.02 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 74.43 111.021 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.31 -38.31 74.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 60.23 110.198 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 5.3 tp-100 -59.63 -48.88 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.558 -0.534 . . . . 74.22 109.558 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.79 -43.82 81.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.188 -0.914 . . . . 72.1 110.846 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.508 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 29.3 t80 -60.66 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.554 . . . . 72.12 111.022 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.579 ' HG2' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.69 -45.15 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 72.32 110.55 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.01 -32.17 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.012 -0.54 . . . . 74.24 111.62 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -108.39 -73.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.388 0.884 . . . . 72.34 113.388 -168.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -83.72 -14.56 51.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.663 0.616 . . . . 72.14 112.663 -166.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD22 ' HG2' ' A' ' 13' ' ' GLU . 23.9 tp -51.21 -53.29 50.45 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 112.782 0.66 . . . . 71.11 112.782 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 74.1 Cg_endo -76.35 7.49 3.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.155 1.903 . . . . 70.31 113.88 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.02 -45.89 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.939 0.399 . . . . 65.12 111.245 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.816 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.3 m -80.25 143.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 71.55 112.193 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 m -80.54 173.75 12.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 62.32 109.882 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.77 -28.94 66.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.861 0.362 . . . . 62.42 110.998 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -62.83 -46.71 86.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.148 -0.478 . . . . 61.52 110.815 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.816 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 50.1 m -75.01 -29.12 60.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 73.52 110.387 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.853 ' HZ3' ' HB3' ' A' ' 25' ' ' LYS . 7.8 mtpm? -56.68 -45.43 81.76 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.773 -0.455 . . . . 75.43 109.773 173.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -55.75 -32.93 63.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.808 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -64.13 -54.02 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 72.3 110.315 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -65.23 -45.04 86.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 64.13 111.673 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 79.3 mm-40 -56.81 -52.84 63.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.118 0.261 . . . . 74.55 110.647 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -61.23 -40.6 94.61 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.275 -0.42 . . . . 60.14 110.598 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.46 -46.4 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.832 -0.622 . . . . 61.33 110.617 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -58.03 -39.73 79.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.595 . . . . 74.42 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.631 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 41.1 mtpt -65.25 -39.1 92.21 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.605 -0.27 . . . . 73.32 110.737 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 66.0 m-70 -72.22 -36.29 69.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.46 -0.496 . . . . 72.21 110.442 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 31' ' ' ALA . 69.5 mt -64.89 -50.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 74.2 110.774 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.631 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 21.9 pttp -64.39 -25.09 67.87 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.275 0.559 . . . . 71.23 110.599 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 24.7 t70 -65.68 -48.16 72.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.503 -0.771 . . . . 73.54 111.404 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -87.93 -43.32 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 70.12 111.433 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.833 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 57.6 m-85 -110.32 96.99 6.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.853 -0.612 . . . . 72.34 109.423 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 51.2 mtm180 -97.65 -63.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 72.2 110.503 -174.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -113.39 21.52 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.719 0.771 . . . . 74.44 109.429 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.833 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 18.8 ttmm -87.2 119.04 27.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.875 -1.057 . . . . 61.32 109.54 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.639 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 66.9 mt -69.81 170.52 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.749 -0.659 . . . . 73.44 111.381 -175.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -37.02 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 74.11 111.145 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.687 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 14.1 ptmt -97.39 8.11 45.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 74.05 110.851 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.565 ' OD2' ' HG3' ' A' ' 42' ' ' LYS . 9.8 t70 -95.42 0.81 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.694 -0.854 . . . . 71.34 108.694 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.647 HD12 ' HG2' ' A' ' 42' ' ' LYS . 33.5 mm -82.1 106.58 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.809 -1.087 . . . . 63.4 110.029 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.75 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 3.7 mptp? -79.78 142.35 35.43 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.709 -0.849 . . . . 74.04 108.709 173.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -56.59 -32.02 64.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.869 0.366 . . . . 64.32 110.72 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -37.18 73.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.034 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.75 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 8.4 mm-40 -64.71 -41.74 95.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.466 0.65 . . . . 65.43 109.738 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.722 ' HE2' ' HB1' ' A' ' 96' ' ' ALA . 51.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 71.3 110.478 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.87 -43.15 98.79 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.263 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -60.07 -46.5 89.37 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.364 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.631 ' CE2' HD21 ' A' ' 71' ' ' LEU . 66.3 t80 -56.54 -43.45 79.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.488 -0.778 . . . . 74.21 110.864 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 90.5 mt -67.95 -44.43 76.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.12 -0.491 . . . . 74.22 111.075 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.598 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-20 -62.63 -38.37 89.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.488 -0.324 . . . . 72.13 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -68.63 -42.63 77.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 72.35 110.26 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -68.74 -32.81 72.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 73.51 110.225 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -80.45 6.67 60.16 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.899 -0.591 . . . . 64.42 112.641 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -91.3 -30.89 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 63.11 110.026 171.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -104.64 -22.09 13.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.76 -0.654 . . . . 74.44 111.825 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -126.21 157.21 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.322 -0.399 . . . . 74.44 110.236 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.7 t -84.86 -178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 70.13 110.468 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.02 -32.7 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.859 -0.61 . . . . 71.34 112.284 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -71.65 -46.74 58.07 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.239 -0.584 . . . . 64.13 110.836 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -66.06 -39.48 90.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.534 0.207 . . . . 63.41 111.223 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -67.01 -33.48 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.631 -0.507 . . . . 72.54 109.631 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.8 -39.94 94.42 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.157 -0.474 . . . . 62.52 110.376 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.52 -50.0 75.61 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.975 -0.379 . . . . 74.4 109.975 174.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 55' ' ' PHE . 51.9 tp -54.5 -50.55 67.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 74.35 110.441 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' HB2' HD21 ' A' ' 98' ' ' LEU . 34.8 t30 -50.71 -46.91 59.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.265 -0.88 . . . . 62.44 110.989 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -59.33 -44.93 92.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 63.44 111.073 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.5 -44.34 87.33 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.044 0.449 . . . . 75.33 110.078 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.573 HD11 ' HE1' ' A' ' 52' ' ' TYR . 84.3 mt -63.87 -42.94 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 62.52 111.319 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.73 ' HG2' HG22 ' A' ' 93' ' ' THR . 60.9 mtt180 -64.88 -40.38 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.065 -0.254 . . . . 63.52 110.683 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.55 -35.51 81.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 72.33 110.243 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -48.17 68.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.077 -0.511 . . . . 75.33 111.208 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -65.24 -40.5 94.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.534 -0.303 . . . . 72.11 110.944 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.571 ' HA ' HG22 ' A' ' 83' ' ' ILE . 32.8 t70 -62.75 -34.84 78.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 62.21 110.884 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -45.71 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.278 0.561 . . . . 65.44 110.002 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 87' ' ' TYR . . . -67.84 -47.34 69.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.516 -0.765 . . . . 75.5 111.564 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.571 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.6 tt -64.0 -32.27 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.624 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -61.53 -31.55 71.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 74.14 110.256 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.65 1.73 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 74.11 110.779 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.06 24.25 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.079 -0.582 . . . . 71.55 112.462 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.583 ' HB3' ' HB3' ' A' ' 82' ' ' ALA . 1.1 t80 -69.34 -55.45 10.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.515 -0.55 . . . . 72.14 109.515 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.71 150.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.758 -0.655 . . . . 64.12 109.446 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.729 HG12 ' HG3' ' A' ' 90' ' ' LYS . 7.2 tt -67.69 -60.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.532 0.206 . . . . 71.01 111.294 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.729 ' HG3' HG12 ' A' ' 89' ' ' ILE . 41.5 mtpt -141.27 168.49 19.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.364 -0.606 . . . . 74.21 109.364 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 75.1 m-20 -86.77 126.27 64.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.876 0.369 . . . . 73.41 111.568 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 14.5 Cg_exo -70.43 -4.56 14.73 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.353 2.702 . . . . 74.41 111.084 172.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.73 HG22 ' HG2' ' A' ' 76' ' ' ARG . 1.8 m -73.39 8.55 1.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.355 -0.839 . . . . 75.44 111.008 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.25 -36.82 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 73.11 110.631 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -96.51 25.38 5.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 74.13 110.473 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.722 ' HB1' ' HE2' ' A' ' 52' ' ' TYR . . . -84.96 74.83 10.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 75.4 111.065 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.37 -16.51 45.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.948 -0.569 . . . . 74.13 110.831 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 72' ' ' ASN . 83.9 mt 59.73 79.31 0.24 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.462 -0.79 . . . . 72.34 110.92 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.93 102.37 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.878 0.37 . . . . 75.02 110.535 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.14 84.86 7.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.498 -0.556 . . . . 61.34 109.498 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.534 ' HB2' HD21 ' A' ' 61' ' ' LEU . 19.6 m -72.5 -1.62 16.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.492 -0.776 . . . . 63.02 111.84 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 60' ' ' GLY . 58.4 t -64.77 -35.45 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.409 . . . . 71.04 110.526 176.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.54 8.29 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 62.31 111.318 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -86.18 154.91 20.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.179 -0.304 . . . . 71.14 110.179 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -128.17 118.32 23.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.965 0.412 . . . . 72.52 111.356 -175.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -72.3 152.07 42.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 74.02 109.495 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -71.91 155.29 40.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.707 0.289 . . . . 74.32 110.952 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.569 -0.53 . . . . 71.31 109.569 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.1 118.39 12.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.787 -0.642 . . . . 74.41 109.298 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.3 t60 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.68 -0.676 . . . . 72.52 109.73 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.875 0.369 . . . . 74.12 110.578 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.412 HG23 ' OH ' ' A' ' 87' ' ' TYR . 20.7 tt -76.38 136.57 24.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-O 121.516 0.674 . . . . 70.21 111.239 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.548 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.0 p -81.77 161.31 23.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 73.25 110.224 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -62.61 -40.9 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.738 -0.21 . . . . 75.31 111.117 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HE1' ' A' ' 32' ' ' TYR . . . -61.88 -48.68 79.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.987 0.422 . . . . 64.44 110.598 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.37 -38.48 87.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 64.11 110.364 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -64.65 -52.41 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 75.32 111.245 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.61 -46.13 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.164 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 52.6 t80 -67.06 -45.57 76.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.068 -0.515 . . . . 75.51 110.75 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.88 -47.71 85.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.414 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CZ2' ' HE3' ' A' ' 16' ' ' LYS . 56.7 t90 -54.47 -45.23 73.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 72.34 110.882 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.614 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 45.0 t80 -65.55 -50.46 65.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 73.33 111.081 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.3 -36.45 63.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 73.52 112.439 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.84 -31.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.589 -0.278 . . . . 74.41 111.711 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.432 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 46.7 m-80 -101.78 -77.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.713 0.634 . . . . 73.24 112.713 -170.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -79.43 -15.78 57.24 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.595 0.591 . . . . 62.21 112.595 -167.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.3 tp -49.51 -55.23 23.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.084 0.772 . . . . 74.32 113.084 -174.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 78.2 Cg_endo -81.17 10.39 3.44 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.936 1.757 . . . . 65.44 113.747 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -120.22 -39.73 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.817 -0.353 . . . . 74.23 111.581 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.4 m -83.83 157.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 72.02 111.491 -176.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -87.12 169.41 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.629 -0.714 . . . . 75.13 110.293 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 36.5 mt-10 -64.31 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.058 -0.257 . . . . 72.21 111.367 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -42.66 97.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.948 -0.39 . . . . 73.33 109.948 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.499 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -72.06 -33.16 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 64.21 110.476 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.614 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 8.5 mtpm? -59.1 -36.2 74.73 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.021 -0.536 . . . . 73.12 110.482 177.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.5 mtt180 -58.48 -42.34 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.538 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' HB3' ' HH ' ' A' ' 74' ' ' TYR . 78.7 m-70 -67.8 -48.72 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.753 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.57 -41.82 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 72.21 111.693 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.256 -0.178 . . . . 75.31 111.255 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.468 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 33.7 t -65.51 -43.46 90.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.179 -0.674 . . . . 71.34 109.179 174.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.66 -47.31 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 64.25 110.126 174.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 54.7 t80 -64.75 -41.11 96.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.415 -0.812 . . . . 75.14 112.304 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 19.5 ptmt -63.95 -37.36 87.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.474 -0.49 . . . . 65.43 110.747 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -73.54 -36.24 65.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.697 0.284 . . . . 74.13 110.691 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -62.5 -46.78 95.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.368 -0.378 . . . . 71.11 110.405 174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.94 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 74.41 110.759 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -41.03 35.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.512 . . . . 72.33 111.305 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -83.62 -43.66 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.23 111.448 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -114.99 86.13 2.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.363 0.601 . . . . 64.33 109.932 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -82.26 -40.01 22.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.553 -0.749 . . . . 64.33 111.019 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 22.75 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.299 0.571 . . . . 75.22 110.193 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.55 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 21.6 tptt -77.91 128.11 33.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.262 -0.881 . . . . 64.21 110.329 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 93.7 mt -68.53 161.14 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.207 -0.294 . . . . 74.55 110.207 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.12 -30.91 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.397 . . . . 64.25 110.533 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -84.72 -4.84 59.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 65.24 111.483 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 13.3 t70 -102.3 9.92 39.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.324 0.583 . . . . 75.13 110.256 -176.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.476 HD13 ' HG2' ' A' ' 42' ' ' LYS . 28.3 mm -93.72 96.04 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.887 -0.597 . . . . 72.45 109.473 175.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -79.56 150.49 31.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.07 -0.514 . . . . 71.34 110.299 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.619 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 4.5 ptp180 -62.98 -33.93 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 70.25 110.897 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 p -68.18 -44.43 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.067 -0.515 . . . . 74.35 110.68 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.7 -37.32 86.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.772 -0.649 . . . . 75.51 110.186 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.491 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 59.5 t80 -61.99 -37.39 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.411 -0.813 . . . . 71.12 111.358 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.14 -37.33 77.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.057 -0.257 . . . . 71.04 110.916 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.59 -36.43 80.86 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.782 0.325 . . . . 75.55 110.434 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 71' ' ' LEU . 65.3 t80 -62.27 -49.77 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 72.32 110.049 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.684 ' HB3' HD12 ' A' ' 68' ' ' ILE . 84.9 mt -61.3 -39.47 90.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 74.34 110.359 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.609 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -57.69 -57.12 14.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.84 . . . . 62.43 111.249 -177.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.57 -39.47 93.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.16 0.505 . . . . 74.1 110.627 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.473 ' HE1' ' HB ' ' A' ' 67' ' ' THR . 48.5 t80 -62.98 -47.32 83.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.524 -0.762 . . . . 74.42 110.565 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.88 78.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 116.136 -0.484 . . . . 63.55 112.913 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 83.4 mt -70.21 -13.11 62.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 72.43 111.387 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -120.39 6.66 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 62.2 111.519 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -144.11 -166.46 2.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.438 -0.346 . . . . 74.54 110.336 -177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.8 t -109.08 179.99 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.199 -0.297 . . . . 45.44 110.199 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 90.9 t80 -65.8 -40.26 91.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.456 -0.338 . . . . 71.23 111.164 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.43 -42.29 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.65 0.241 . . . . 73.42 111.65 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.473 ' HB ' ' HE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -60.25 -47.33 86.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.276 -0.42 . . . . 74.54 111.193 177.65 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.684 HD12 ' HB3' ' A' ' 56' ' ' LEU . 15.4 tt -74.39 -34.6 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.709 -0.223 . . . . 72.11 111.216 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -65.54 -49.14 69.99 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.952 -0.388 . . . . 65.4 109.952 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.61 -45.91 88.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.69 -0.686 . . . . 60.44 110.479 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 55' ' ' PHE . 48.5 tp -52.84 -53.86 42.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.692 -0.685 . . . . 75.52 111.237 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.491 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 43.6 t30 -54.45 -42.36 70.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 71.54 110.948 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -46.73 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.952 -0.567 . . . . 64.34 111.157 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' HH ' ' HB3' ' A' ' 27' ' ' HIS . 16.5 m-85 -63.38 -47.75 80.76 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.912 0.387 . . . . 75.14 110.657 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.76 -41.29 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.722 -0.672 . . . . 61.13 111.087 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 76' ' ' ARG . 23.5 ttp85 -62.29 -44.07 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.968 -0.382 . . . . 72.44 109.968 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.74 -38.54 88.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.622 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.17 68.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 73.12 110.995 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.5 -38.04 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 75.04 111.138 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.73 -37.27 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.16 -0.473 . . . . 63.13 110.275 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.61 -41.34 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.342 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.16 87.26 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.096 -0.502 . . . . 55.32 110.573 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.4 mt -64.49 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 73.04 110.256 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -62.22 -42.37 99.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.351 -0.841 . . . . 73.13 111.451 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.415 ' OE1' ' HB2' ' A' ' 87' ' ' TYR . 6.7 pt-20 -79.12 -18.68 52.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.768 0.318 . . . . 74.32 110.887 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.33 12.03 55.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.859 -0.686 . . . . 62.44 112.455 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.415 ' HB2' ' OE1' ' A' ' 85' ' ' GLU . 19.4 t80 -69.03 -42.5 76.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.023 0.44 . . . . 73.05 110.678 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.68 133.19 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.259 -0.645 . . . . 54.12 109.259 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 tt -76.32 -35.35 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.104 0.409 . . . . 62.31 112.104 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -136.82 154.85 50.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.332 -0.247 . . . . 74.25 110.332 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -137.73 170.54 10.28 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.38 -0.373 . . . . 62.04 111.032 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.619 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 19.8 Cg_exo -68.47 -149.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.981 2.454 . . . . 63.4 111.343 168.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.3 p 54.06 17.45 1.41 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.186 0.594 . . . . 73.22 112.182 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.25 -54.43 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.52 111.019 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -132.25 19.59 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.26 0.553 . . . . 41.0 110.229 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.33 137.21 37.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 75.14 110.437 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.424 ' H ' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -107.69 171.97 7.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 74.15 110.752 -179.449 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.539 HD21 HG12 ' A' ' 68' ' ' ILE . 89.2 mt -123.96 36.41 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.05 111.641 -171.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.22 129.94 37.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.154 -0.618 . . . . 65.32 109.849 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.23 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.588 . . . . 74.21 110.098 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.0 m -79.23 50.54 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 64.34 111.034 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.13 3.76 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.194 -0.912 . . . . 75.34 109.011 177.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -128.42 19.84 6.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.782 -0.645 . . . . 51.24 111.497 -171.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -58.75 -22.83 58.76 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.746 0.647 . . . . 75.51 112.746 -175.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 t60 64.28 40.37 6.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.137 0.494 . . . . 71.54 110.422 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -99.97 29.19 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 73.52 111.34 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 67.42 4.78 3.93 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.044 0.538 . . . . 73.3 112.321 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.49 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 60.1 t-80 -79.02 -30.06 44.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.072 -0.251 . . . . 72.25 110.518 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 46.1 m-70 69.8 159.82 0.19 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.722 0.639 . . . . 73.51 110.529 -172.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.498 -0.763 . . . . 73.52 109.344 179.338 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.844 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 13.9 mmt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.614 0.245 . . . . 73.45 110.614 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -112.81 155.86 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.764 -0.458 . . . . 60.44 109.764 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -73.28 129.42 38.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.44 -0.346 . . . . 75.41 110.434 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.798 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 37.1 t80 -59.13 -43.38 91.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.51 . . . . 62.22 111.505 -174.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . . . -57.1 -50.16 73.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 72.24 111.108 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.14 -37.2 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 71.13 110.861 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.403 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 64.0 t80 -61.39 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.376 -0.375 . . . . 73.45 110.379 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.03 -43.11 77.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.762 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -68.51 -47.0 68.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.223 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' HG22 ' A' ' 14' ' ' VAL . 10.9 pt20 -67.5 -33.63 75.48 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.683 -0.407 . . . . 75.21 110.123 -178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 65.1 t90 -58.39 -45.66 87.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.164 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' HH ' ' HG2' ' A' ' 25' ' ' LYS . 34.5 t80 -69.65 -49.69 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.957 -0.565 . . . . 75.43 111.136 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -56.38 -40.6 74.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 73.0 111.241 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 10' ' ' GLN . 46.9 t -83.01 -26.64 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 111.98 0.363 . . . . 72.54 111.98 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 20.8 m-20 -108.29 -72.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.399 0.888 . . . . 74.03 113.399 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 69.6 mmtt -82.13 -10.19 59.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.249 0.463 . . . . 72.13 112.249 -165.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.55 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.1 tp -49.77 -57.09 13.34 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.327 0.862 . . . . 70.15 113.327 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 86.5 Cg_endo -76.92 3.32 6.68 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.061 1.841 . . . . 73.54 113.8 -173.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.57 -8.62 13.32 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.841 -0.344 . . . . 75.53 111.184 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.4 m -117.06 165.71 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.978 0.418 . . . . 72.31 111.311 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -89.02 168.61 12.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 73.43 109.975 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.672 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 28.5 mt-10 -70.45 -23.45 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.931 0.396 . . . . 72.5 110.909 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.4 p -65.01 -38.34 90.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.406 -0.59 . . . . 74.52 109.406 171.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.486 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.2 m -69.6 -32.55 71.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.715 -0.675 . . . . 74.12 110.528 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.672 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.1 mttt -54.24 -46.12 72.5 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.661 -0.496 . . . . 71.3 109.661 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -56.15 -43.05 77.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 74.52 111.757 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' HD2' ' O ' ' A' ' 23' ' ' SER . 37.0 m-70 -56.69 -47.98 78.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.97 0.414 . . . . 63.04 110.767 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.75 -40.21 79.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.553 . . . . 70.44 111.346 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.4 -42.07 92.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.142 -0.223 . . . . 74.44 111.001 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.428 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 69.7 m -61.8 -45.51 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.207 -0.294 . . . . 60.22 110.207 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.94 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.555 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -54.65 -50.48 68.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 73.24 111.802 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 30' ' ' SER . 20.4 pttp -67.03 -31.8 72.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.188 -0.205 . . . . 60.52 111.233 -176.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -73.02 -38.85 66.42 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.683 0.278 . . . . 75.44 110.93 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.9 mt -62.76 -51.3 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 74.03 110.553 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 5' ' ' ALA . 19.9 ptmt -68.36 -26.97 65.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.771 0.32 . . . . 70.3 110.948 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.76 -45.95 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 72.32 110.854 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -86.5 -50.46 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 74.24 111.17 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.518 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 81.2 m-85 -89.67 59.99 4.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.302 0.572 . . . . 74.03 110.607 -176.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 23.8 mmt180 -55.84 111.45 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.093 -0.958 . . . . 74.12 111.209 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.25 27.43 15.18 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.508 0.505 . . . . 75.14 111.735 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.567 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 14.6 tptt -78.8 132.73 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.958 0.408 . . . . 64.3 110.749 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 1' ' ' MET . 91.1 mt -69.38 155.44 40.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.623 . . . . 71.34 110.365 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.798 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 5.3 tt -61.02 -40.9 95.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.229 0.538 . . . . 72.53 110.05 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HB2' ' HZ1' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.69 -1.29 57.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.62 -0.718 . . . . 72.31 111.726 -176.856 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 28.4 t70 -93.37 -7.13 45.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.399 0.619 . . . . 64.2 110.085 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.522 ' HB ' ' HG3' ' A' ' 92' ' ' PRO . 28.4 mm -67.76 127.74 29.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.848 -0.797 . . . . 71.15 108.848 174.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -113.24 152.48 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.913 -0.403 . . . . 74.12 109.913 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -66.09 -37.88 86.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.27 . . . . 65.4 111.509 -174.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.2 p -70.5 -29.7 66.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.091 0.472 . . . . 75.01 110.705 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.94 -38.44 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.798 -0.637 . . . . 71.44 109.959 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.27 -39.49 82.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.361 -0.836 . . . . 72.3 110.997 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -58.85 -40.81 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.518 -0.31 . . . . 74.54 110.542 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' THR . 96.9 mttt -55.51 -41.9 73.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.265 -0.425 . . . . 73.34 110.761 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CE2' HD22 ' A' ' 71' ' ' LEU . 79.1 t80 -63.43 -44.19 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 74.12 110.314 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB3' HD13 ' A' ' 68' ' ' ILE . 96.8 mt -63.55 -41.71 98.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.22 111.084 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.59 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.7 m-20 -54.91 -52.84 61.66 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.648 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.34 -38.19 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 72.33 111.207 -175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -64.87 -38.76 92.04 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.891 0.377 . . . . 75.13 110.268 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 3.91 57.17 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.753 -0.658 . . . . 42.11 112.769 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 98.5 mt -90.47 -11.51 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.34 110.715 176.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -131.11 2.85 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.013 0.375 . . . . 73.35 112.013 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -137.98 166.93 22.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.627 0.251 . . . . 75.43 110.981 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -86.48 168.73 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.303 -0.408 . . . . 75.32 110.728 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.525 ' CE2' ' HD3' ' A' ' 69' ' ' ARG . 75.8 t80 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 73.14 112.067 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.15 -34.96 78.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 52.55 110.081 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -62.71 -46.31 88.72 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.556 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 65' ' ' TYR . 14.1 tt -70.21 -33.42 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.553 -0.294 . . . . 74.21 110.701 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.836 ' HG2' HD12 ' A' ' 98' ' ' LEU . 11.2 mtm180 -59.61 -51.09 71.3 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.907 0.384 . . . . 74.55 110.667 175.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -69.86 -33.87 72.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.926 -0.579 . . . . 74.02 111.004 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 55' ' ' PHE . 24.5 tp -52.91 -55.77 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.25 0.548 . . . . 75.22 109.717 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.2 -39.32 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.169 -0.923 . . . . 73.24 110.913 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.7 m -58.79 -44.91 90.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.106 -0.497 . . . . 75.14 111.717 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -65.83 -46.91 76.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.249 0.547 . . . . 73.43 109.72 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.582 HG22 ' HZ ' ' A' ' 4' ' ' PHE . 80.3 mt -60.91 -45.31 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.212 -0.904 . . . . 71.23 111.109 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -65.07 -37.79 88.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.651 -0.25 . . . . 65.52 111.565 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.45 -38.89 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.466 -0.568 . . . . 72.14 109.466 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.12 83.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.109 -0.496 . . . . 55.01 110.993 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 91' ' ' ASN . 36.7 m-85 -63.98 -47.71 79.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.204 -0.453 . . . . 73.24 111.07 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.96 -38.66 89.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.118 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.46 -45.47 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.206 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -59.42 -48.67 80.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.842 -0.617 . . . . 74.44 110.233 175.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.75 -38.2 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 74.34 110.69 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -58.21 -39.38 78.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.262 -0.881 . . . . 63.54 111.788 -173.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -92.61 -36.64 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.698 -0.401 . . . . 75.23 110.624 176.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.64 20.97 2.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.953 -0.641 . . . . 71.23 112.045 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.509 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 40.8 t80 -72.44 -28.62 63.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.543 . . . . 75.53 110.137 -178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.25 154.98 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 72.22 109.26 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.429 HG21 ' HG2' ' A' ' 90' ' ' LYS . 7.5 tp -75.99 -42.18 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.891 0.33 . . . . 74.14 111.891 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HG2' HG21 ' A' ' 89' ' ' ILE . 17.4 pttm -161.39 -177.17 5.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.854 0.359 . . . . 73.23 111.201 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.524 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 18.8 p30 -117.73 147.44 41.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 62.14 111.384 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.522 ' HG3' ' HB ' ' A' ' 47' ' ' ILE . 76.4 Cg_endo -87.71 14.78 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 123.125 2.55 . . . . 74.52 112.677 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.1 p -85.54 26.56 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 70.25 111.447 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -63.7 -42.52 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.195 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -116.82 108.08 15.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 74.02 109.871 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.11 79.41 1.67 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 61.4 109.811 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -85.73 107.9 17.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.299 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.836 HD12 ' HG2' ' A' ' 69' ' ' ARG . 59.2 mt -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.512 -0.767 . . . . 74.04 110.846 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -118.82 109.14 15.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.848 -0.614 . . . . 71.04 110.407 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.49 97.64 11.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.008 -0.542 . . . . 62.1 109.901 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.579 ' HB3' HD21 ' A' ' 61' ' ' LEU . 32.0 t -91.12 82.54 5.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.464 0.65 . . . . 75.51 109.917 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.0 t -141.66 -35.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.371 -0.832 . . . . 74.2 109.724 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -100.2 111.13 23.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 72.33 111.468 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -120.96 143.61 48.91 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.305 -0.628 . . . . 74.21 109.305 171.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -123.78 127.4 48.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.96 0.409 . . . . 71.42 110.386 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -89.86 102.74 15.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.231 -0.655 . . . . 75.15 109.231 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -100.52 143.29 30.87 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.877 -0.329 . . . . 74.12 110.232 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -81.14 118.58 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.078 -0.712 . . . . 73.0 109.078 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -94.19 145.59 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.103 0.478 . . . . 63.23 111.373 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 . . . . . 0 C--O 1.242 0.686 0 CA-C-N 115.429 -0.805 . . . . 71.53 109.269 171.104 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.287 0.565 . . . . 73.12 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 7' ' ' TYR . 16.5 tt -97.99 151.61 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 75.01 111.461 -174.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.592 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 1.3 p -67.32 149.23 50.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 70.34 111.093 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.795 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -55.04 39.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.987 0.422 . . . . 62.11 110.62 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -42.95 90.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.572 -0.74 . . . . 73.32 110.513 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.494 ' HB2' HG23 ' A' ' 2' ' ' ILE . 88.7 t80 -59.58 -46.98 87.32 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.037 -0.529 . . . . 75.11 110.972 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.61 -46.02 81.14 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.448 0.468 . . . . 72.25 110.81 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.77 -47.65 74.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 75.21 110.754 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.43 HE21 ' HB3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -61.23 -46.79 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.317 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -55.71 -48.43 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 74.21 110.775 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.458 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.0 t80 -61.89 -54.71 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 73.15 111.307 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.722 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 28.0 tt0 -63.78 -28.76 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.414 -0.357 . . . . 71.34 111.759 -171.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.53 -28.32 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.173 -0.329 . . . . 71.41 111.707 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -111.54 -43.7 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.493 0.923 . . . . 73.41 113.493 -170.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -108.56 -14.73 14.58 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.416 0.524 . . . . 75.52 112.416 -171.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.722 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 12.8 tp -48.33 -57.58 10.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.232 0.827 . . . . 71.2 113.232 -173.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 8.7 Cg_endo -86.21 17.51 1.74 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.514 2.143 . . . . 75.11 112.956 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.08 -0.47 9.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 73.14 110.717 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.717 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.5 m -127.33 152.36 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.398 . . . . 73.13 111.04 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -87.77 176.96 7.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 73.45 111.054 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.16 -31.37 68.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.639 -0.709 . . . . 74.22 111.756 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 p -62.84 -50.0 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.406 . . . . 71.52 110.411 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.717 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -70.3 -31.46 68.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 74.41 110.702 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 50.7 mttm -56.98 -51.54 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 65.24 110.542 175.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.96 -28.43 68.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.092 -0.504 . . . . 71.55 111.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -56.44 -51.25 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.07 0.462 . . . . 71.03 109.92 171.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.12 -40.84 95.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.797 -0.638 . . . . 74.15 111.255 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.7 -37.59 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 61.2 111.099 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.4 m -67.48 -41.58 84.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.437 . . . . 72.21 110.177 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.06 77.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.957 -0.565 . . . . 71.44 110.503 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -58.3 -42.0 85.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.578 . . . . 73.21 111.673 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -69.73 -31.78 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.447 -0.501 . . . . 71.41 111.174 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -77.48 -34.29 54.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.035 0.445 . . . . 71.24 110.674 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.05 -50.2 71.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.118 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -62.25 -28.09 69.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 73.44 110.822 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.53 -45.52 75.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 75.33 111.415 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -86.59 -44.77 11.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 64.02 111.118 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -113.14 97.63 6.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.157 -0.474 . . . . 54.14 109.73 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -91.3 -48.52 6.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.713 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -130.88 31.5 4.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 72.43 111.212 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -87.91 127.26 35.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.005 -0.543 . . . . 63.43 109.793 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 85.2 mt -63.43 157.32 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 71.33 110.578 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -54.93 -41.76 71.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.131 0.491 . . . . 71.33 110.721 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -87.66 -3.9 58.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 71.43 111.573 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.2 t70 -92.31 -13.54 30.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.032 0.444 . . . . 61.43 110.016 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.5 107.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.803 -0.635 . . . . 73.13 110.472 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.56 136.7 39.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.978 -0.555 . . . . 74.34 109.726 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.08 -28.38 70.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 74.24 111.187 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -66.72 -45.22 79.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.396 -0.365 . . . . 73.41 110.396 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.76 -31.03 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 63.35 110.562 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CE1' HG22 ' A' ' 75' ' ' ILE . 63.7 t80 -60.11 -37.89 81.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 75.23 110.016 174.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.96 -37.58 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 72.55 110.579 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.936 0.398 . . . . 75.54 110.143 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.595 ' CE2' HD22 ' A' ' 71' ' ' LEU . 74.2 t80 -57.75 -44.52 86.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.332 -0.849 . . . . 74.21 110.403 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.22 -43.09 78.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 71.34 111.253 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.602 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -60.35 -49.52 77.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.511 -0.313 . . . . 70.3 110.692 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.01 -44.63 84.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 71.44 110.173 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.63 -37.55 87.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 74.52 110.488 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.74 -1.05 82.91 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.052 -0.522 . . . . 75.12 112.931 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.9 mt -90.19 -16.92 28.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 73.04 110.165 174.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.2 p -119.99 2.53 10.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 65.14 111.93 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -139.89 160.83 39.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 75.03 111.38 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 t -80.53 169.5 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 71.11 110.231 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.1 0.408 . . . . 71.11 112.1 -173.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.42 -34.35 72.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.387 -0.525 . . . . 71.2 111.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -64.59 -44.85 89.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.496 -0.32 . . . . 74.02 110.478 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 HG12 HD21 ' A' ' 98' ' ' LEU . 14.7 tt -71.55 -33.18 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.679 0.276 . . . . 63.22 110.298 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -56.48 -49.9 73.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.365 -0.379 . . . . 75.21 110.514 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.79 -50.09 69.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.908 0.385 . . . . 63.24 110.597 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.595 HD22 ' CE2' ' A' ' 55' ' ' PHE . 45.9 tp -52.91 -51.63 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.506 -0.77 . . . . 75.22 110.865 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.07 -38.26 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.932 -0.576 . . . . 73.42 110.913 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -59.77 -45.98 90.58 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.268 -0.423 . . . . 64.42 110.704 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -63.99 -45.9 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 75.32 110.346 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.519 HG22 ' CE1' ' A' ' 52' ' ' TYR . 64.3 mt -63.84 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 74.01 110.878 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -56.69 -50.31 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.193 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.7 -37.13 86.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.518 -0.764 . . . . 65.24 111.206 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.95 61.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 74.24 111.281 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.444 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 31.2 m-85 -65.1 -41.64 94.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 75.11 111.215 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 83' ' ' ILE . 36.1 t70 -62.44 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 75.42 110.852 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.65 -42.21 87.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 54.23 110.083 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.39 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 65.33 111.362 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.8 tt -68.79 -29.4 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.772 -0.195 . . . . 54.11 110.588 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -54.96 -31.92 61.07 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.397 . . . . 75.04 110.407 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -95.49 -11.32 27.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.668 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 12.77 82.43 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.058 -0.817 . . . . 63.43 111.058 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.95 -27.57 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 72.41 110.697 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.09 159.5 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.882 -0.599 . . . . 70.43 109.605 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.53 -164.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.764 0.316 . . . . 74.22 110.86 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -53.98 124.14 14.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.354 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.444 ' OD1' ' HB3' ' A' ' 79' ' ' PHE . 93.3 m-20 -50.29 126.7 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.222 -0.899 . . . . 73.34 112.452 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 32.4 Cg_exo -60.42 -9.1 10.02 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.657 2.904 . . . . 72.43 112.928 178.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.9 p -72.68 5.22 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.169 0.509 . . . . 61.44 110.457 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.414 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 56.9 t80 -51.38 -35.67 39.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.051 -0.977 . . . . 74.13 110.574 172.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.414 ' HG2' ' HD2' ' A' ' 94' ' ' TYR . 74.3 mmtt -122.89 87.88 2.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.897 -0.592 . . . . 74.15 109.714 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.99 86.98 2.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.35 0.595 . . . . 73.25 111.284 -177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.68 110.65 23.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.846 -0.616 . . . . 74.53 110.475 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.43 HD21 HG12 ' A' ' 68' ' ' ILE . 80.6 mt -86.16 74.14 10.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.63 . . . . 70.23 110.12 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -98.54 82.36 2.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.971 -0.559 . . . . 74.24 110.451 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 98.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 73.05 109.276 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.5 ' HB2' HD21 ' A' ' 61' ' ' LEU . 5.1 m -77.15 -0.88 26.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 70.13 111.22 -170.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.576 ' HB ' HD13 ' A' ' 103' ' ' LEU . 47.2 t -71.31 -36.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.725 -0.67 . . . . 71.13 110.417 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.576 HD13 ' HB ' ' A' ' 102' ' ' VAL . 6.2 mp -99.92 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.071 -0.513 . . . . 51.32 111.495 -173.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -108.8 113.96 27.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.85 -0.796 . . . . 73.24 108.85 169.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -73.72 -31.57 63.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 72.0 109.467 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -79.31 170.9 15.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.153 -0.931 . . . . 74.42 108.637 172.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -134.84 108.74 8.1 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.758 -0.589 . . . . 74.01 110.029 173.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -129.72 143.81 50.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 72.23 110.716 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -164.3 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.555 -0.748 . . . . 73.25 109.026 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.455 -0.783 . . . . 73.42 109.566 176.036 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.98 0.419 . . . . 63.44 110.768 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -143.83 157.92 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.523 -0.547 . . . . 75.45 109.523 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.4 p -76.38 143.07 40.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.519 178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.723 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 29.0 t80 -60.7 -45.76 92.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.444 -0.344 . . . . 73.43 111.808 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.49 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.029 0.443 . . . . 72.22 110.699 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -41.67 97.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 72.31 110.859 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.38 -46.91 88.2 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.623 -0.262 . . . . 73.41 110.796 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -59.77 -44.22 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.386 . . . . 75.14 110.349 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.2 -47.02 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 75.33 110.582 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.8 tt0 -60.43 -48.73 80.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.161 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.6 t90 -54.04 -52.33 61.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 72.21 110.456 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.497 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 14.6 t80 -60.13 -47.09 87.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.222 -0.445 . . . . 74.2 111.408 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.605 ' HG3' HD23 ' A' ' 17' ' ' LEU . 32.7 tt0 -63.3 -20.94 65.93 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.25 -174.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 10' ' ' GLN . 42.0 t -97.54 -33.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 70.42 111.053 176.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.3 t-20 -92.66 -53.39 4.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.742 0.645 . . . . 74.1 112.742 -164.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HG3' ' HH ' ' A' ' 28' ' ' TYR . 74.2 mmtt -114.12 -9.78 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.671 -0.412 . . . . 65.11 112.028 -169.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.652 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 28.1 tp -54.24 -55.26 38.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.871 0.693 . . . . 75.15 112.871 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.8 Cg_endo -85.57 17.89 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.113 1.875 . . . . 71.2 112.971 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.1 m-70 -123.71 -46.21 2.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 73.25 111.424 -175.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 24.5 m -79.73 161.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.488 -0.324 . . . . 51.02 111.067 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 41.9 m -82.67 170.04 15.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 72.42 110.25 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 pm0 -61.03 -27.02 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.35 111.832 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 p -63.33 -51.34 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.734 0.302 . . . . 75.44 110.465 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 19.2 m -66.94 -31.35 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 55.25 110.343 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 97.3 mttt -59.16 -41.82 89.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.654 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -74.01 -28.8 61.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 72.42 111.204 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -60.85 -47.37 86.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.063 -0.347 . . . . 73.31 110.063 172.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.436 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 35.6 m-85 -61.39 -40.16 93.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.083 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -59.87 -46.05 90.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 75.05 110.713 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 45.0 m -62.47 -44.99 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.936 -0.575 . . . . 74.13 110.384 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -49.68 76.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.094 -0.503 . . . . 54.54 110.731 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.26 -39.8 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 74.41 111.895 -177.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 30' ' ' SER . 14.1 ptmm? -66.69 -34.93 78.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.54 -0.464 . . . . 71.24 110.577 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.19 -38.46 72.1 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.909 0.385 . . . . 75.42 110.028 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.63 -44.72 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 72.53 110.484 176.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.8 ttmm -59.41 -32.43 70.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.606 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.77 -48.31 15.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 73.43 111.92 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.89 -35.0 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.664 0.268 . . . . 71.23 110.943 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.714 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 75.4 m-85 -123.46 75.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 70.32 110.737 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 15.6 mtp180 -76.75 95.91 4.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.372 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 m170 65.16 31.25 11.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.507 -0.77 . . . . 74.35 111.133 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.714 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 43.2 tptt -78.68 132.16 36.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.328 -0.851 . . . . 61.12 109.155 173.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 96.8 mt -61.7 138.46 58.32 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.723 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.6 pt? -60.57 -31.46 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.17 0.509 . . . . 73.25 111.21 -174.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.644 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -90.59 3.42 54.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.987 -0.551 . . . . 74.12 110.952 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 19.8 t70 -102.52 -2.14 29.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.318 0.58 . . . . 73.0 109.631 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.403 HG13 ' CE1' ' A' ' 39' ' ' PHE . 1.8 mp -69.5 115.65 8.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.708 -0.678 . . . . 74.32 109.2 172.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -72.76 149.72 43.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.615 . . . . 62.34 109.674 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' CD ' ' HA ' ' A' ' 92' ' ' PRO . 1.2 mpp_? -58.38 -36.15 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.348 0.594 . . . . 72.13 109.746 177.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 6.7 p -70.88 -39.12 73.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.395 -0.821 . . . . 73.43 111.298 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -62.46 -41.92 99.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.503 0.192 . . . . 75.11 111.336 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.703 ' HH ' ' HB ' ' A' ' 75' ' ' ILE . 11.3 t80 -64.79 -41.4 95.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.373 -0.376 . . . . 73.4 109.997 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -64.38 -43.61 93.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.34 109.787 177.077 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 50' ' ' THR . 67.7 mttm -60.31 -42.46 95.6 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.828 0.346 . . . . 75.32 110.94 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 71' ' ' LEU . 87.6 t80 -58.33 -41.12 83.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 72.41 110.37 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.485 ' HB3' HD11 ' A' ' 68' ' ' ILE . 95.0 mt -66.95 -37.73 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 62.44 110.642 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 9.3 m120 -60.59 -51.37 69.68 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.879 -0.415 . . . . 74.25 109.879 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.412 -0.813 . . . . 65.55 111.212 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -70.85 -35.96 72.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.542 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.53 -1.58 77.07 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.998 -0.546 . . . . 74.4 112.734 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 101' ' ' SER . 96.0 mt -90.69 -16.33 28.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 73.23 110.422 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 p -122.61 -9.42 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.514 0.561 . . . . 74.44 112.514 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -135.76 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 72.35 112.066 -173.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -80.6 168.36 18.98 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.352 -0.84 . . . . 61.0 110.768 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.94 -45.94 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.21 111.524 -174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -63.0 -33.47 75.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.38 -0.528 . . . . 73.25 110.205 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -66.18 -49.21 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.975 -0.557 . . . . 54.53 110.659 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.9 tt -67.47 -34.74 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.96 0.41 . . . . 71.42 110.454 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.08 -42.01 99.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.066 0.46 . . . . 75.44 110.426 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -71.37 -38.16 71.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 71.32 110.095 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 55' ' ' PHE . 29.5 tp -56.7 -51.67 67.89 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.987 -0.552 . . . . 61.4 110.721 173.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.414 HD22 ' NH2' ' A' ' 76' ' ' ARG . 32.7 t30 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.447 -0.797 . . . . 75.32 110.358 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -61.38 -47.98 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 52.14 110.704 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -53.41 -54.21 40.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.082 0.468 . . . . 64.22 111.04 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.703 ' HB ' ' HH ' ' A' ' 52' ' ' TYR . 73.6 mt -65.57 -36.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 73.52 110.952 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.414 ' NH2' HD22 ' A' ' 72' ' ' ASN . 13.1 ttm180 -66.18 -37.53 85.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 75.32 110.604 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -66.19 -42.05 89.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.437 -0.347 . . . . 74.42 110.302 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.95 89.99 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.115 -0.493 . . . . 55.25 110.878 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.419 ' HB3' ' CG ' ' A' ' 91' ' ' ASN . 25.2 m-85 -71.0 -30.62 66.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 73.34 111.731 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -60.37 -40.1 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.626 -0.509 . . . . 72.33 109.626 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 3.0 m-20 -69.93 -41.07 75.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.499 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.42 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 54.31 111.185 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 83' ' ' ILE . 12.6 tt -65.43 -32.5 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.091 0.472 . . . . 71.25 110.391 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -64.64 -29.3 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.263 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 36.6 mm-40 -99.08 -3.35 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 65.14 110.713 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.76 27.83 52.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.911 -0.661 . . . . 65.43 112.386 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.845 -0.428 . . . . 74.4 109.845 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' A' ' 45' ' ' LYS . 52.4 t -108.07 130.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.986 -0.552 . . . . 73.13 109.92 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.588 HG12 ' HG2' ' A' ' 90' ' ' LYS . 8.2 tt -67.94 -50.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.516 -178.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HG2' HG12 ' A' ' 89' ' ' ILE . 31.9 mmmt -129.18 109.78 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.731 -0.47 . . . . 44.14 109.731 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.494 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 97.2 m-20 -58.13 136.74 84.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 52.31 111.939 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.537 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 12.9 Cg_exo -72.14 12.15 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.711 2.941 . . . . 75.42 112.988 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -80.31 -12.31 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.356 0.598 . . . . 74.44 110.714 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -70.78 141.5 51.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.49 -0.777 . . . . 72.22 109.992 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm 74.62 -6.61 1.88 Allowed 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.506 0.504 . . . . 54.32 111.531 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.3 136.46 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.882 0.372 . . . . 61.4 110.713 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 45.2 mt-10 -136.07 156.8 48.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.343 -0.389 . . . . 73.03 110.892 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.38 144.83 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 75.23 109.951 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -157.53 90.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 74.44 110.596 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.71 99.28 10.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.364 -0.606 . . . . 62.21 109.364 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.575 ' HB3' HD21 ' A' ' 61' ' ' LEU . 18.1 t -87.19 4.78 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.183 0.516 . . . . 75.14 111.039 -172.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.17 -16.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.356 0.598 . . . . 72.14 110.214 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.36 105.49 13.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 36.68 111.706 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -123.43 114.85 20.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 63.24 109.694 172.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -71.48 -18.45 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.066 0.46 . . . . 74.41 109.906 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -143.35 104.74 4.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.073 -0.714 . . . . 72.34 109.073 172.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -93.42 164.04 13.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.916 -0.314 . . . . 72.22 110.175 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -99.06 115.65 29.49 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.504 -0.554 . . . . 74.12 109.504 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -66.68 123.56 20.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 74.42 110.594 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.811 -0.614 . . . . 70.21 109.637 177.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 tpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.993 -0.373 . . . . 74.31 109.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.2 tp -85.71 153.04 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.259 0.552 . . . . 72.12 111.201 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.5 p -82.37 141.52 32.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 75.3 110.071 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.36 -46.42 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.315 0.385 . . . . 73.42 111.983 -174.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.55 -55.26 36.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.038 0.447 . . . . 74.51 111.225 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.25 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 74.21 111.114 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -65.84 -46.24 79.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 74.12 110.392 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.28 -45.59 87.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.868 -0.605 . . . . 72.42 110.455 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.73 -47.38 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.899 -0.591 . . . . 73.33 110.732 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -47.38 84.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.273 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.509 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.1 t90 -55.03 -39.29 68.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.601 . . . . 72.55 110.918 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 20.2 t80 -73.63 -53.48 10.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.307 -0.406 . . . . 75.34 111.27 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HG3' HD23 ' A' ' 17' ' ' LEU . 40.8 tt0 -61.24 -38.1 85.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.951 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -83.82 -18.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.838 0.351 . . . . 71.45 111.475 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 85.8 m-20 -116.31 -68.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.763 0.653 . . . . 63.21 112.763 -173.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 70.6 mmtt -86.2 -17.99 33.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.33 0.493 . . . . 73.55 112.33 -165.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 13' ' ' GLU . 26.3 tp -55.61 -55.04 44.79 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 112.998 0.74 . . . . 73.22 112.998 -174.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.3 Cg_endo -64.8 -6.1 11.84 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.651 2.234 . . . . 75.22 114.367 -173.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -103.67 -13.25 16.57 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.013 -0.275 . . . . 62.04 111.434 -174.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 21.3 m -119.62 179.13 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 74.24 111.553 -174.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -120.9 -177.42 3.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 74.41 109.827 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 78.8 mm-40 -49.44 -36.44 22.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 72.12 112.14 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -57.08 -43.94 82.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 73.12 111.418 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.466 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 27.8 m -80.68 -31.35 36.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 73.03 110.493 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HG2' ' HH ' ' A' ' 12' ' ' TYR . 10.4 mtpm? -56.94 -41.41 78.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.071 -0.513 . . . . 70.45 110.706 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 49.3 mtt180 -54.3 -45.9 72.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.374 -0.376 . . . . 73.22 110.823 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.29 -49.33 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 72.4 110.929 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -61.69 -46.84 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.469 -0.332 . . . . 71.4 111.746 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.72 -48.35 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 63.02 111.72 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 p -68.23 -31.25 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.89 -0.324 . . . . 64.33 110.995 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.772 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -66.46 -50.57 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 73.14 109.995 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -58.05 -35.91 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.58 -0.736 . . . . 75.42 110.741 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -66.21 -43.61 86.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.396 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.01 -37.1 86.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.845 0.355 . . . . 65.14 110.707 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.3 mt -62.51 -50.77 78.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 73.12 110.291 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.1 -28.22 69.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 71.55 110.582 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.08 -41.39 77.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.92 -0.582 . . . . 64.43 111.176 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -87.53 -39.83 14.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 73.41 111.455 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.525 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 61.5 m-85 -122.74 92.29 3.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 73.54 109.577 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -76.22 -52.63 9.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.169 0.509 . . . . 73.52 110.815 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.27 23.34 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.424 0.631 . . . . 75.42 110.054 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 13.9 tptp -67.82 126.06 28.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.094 -0.957 . . . . 72.14 109.512 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 82.3 mt -62.94 146.6 52.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 71.12 110.763 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -53.5 -43.77 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.552 0.532 . . . . 75.34 111.458 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -79.28 -4.42 50.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 65.12 111.722 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.7 t70 -100.76 -7.56 23.6 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.104 -0.238 . . . . 65.33 111.133 -172.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.26 110.81 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.309 0.576 . . . . 74.22 109.542 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.661 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 55.1 mtpt -83.0 145.58 29.25 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.763 -0.653 . . . . 65.44 109.949 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.681 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 22.6 mtt180 -61.9 -30.76 71.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 70.11 110.695 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -28.49 65.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 62.13 110.795 177.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 41.1 mt-10 -76.05 -46.04 31.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.04 0.447 . . . . 72.34 109.897 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.479 ' HH ' HG13 ' A' ' 75' ' ' ILE . 28.9 t80 -60.99 -35.48 76.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.445 -0.798 . . . . 72.51 110.763 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -53.32 55.17 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.575 -0.528 . . . . 64.34 109.575 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.92 -40.85 90.27 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.356 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.469 ' CE2' HD23 ' A' ' 71' ' ' LEU . 74.1 t80 -55.15 -45.4 75.65 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.044 -0.526 . . . . 62.43 111.47 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.42 -33.3 67.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 64.13 111.314 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.574 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -59.28 -51.34 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 73.22 110.558 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.19 -31.6 71.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 73.41 110.848 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -73.69 -35.35 65.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 75.01 109.916 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.66 -2.81 90.13 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.856 -0.611 . . . . 75.41 112.638 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.63 HD21 ' HB2' ' A' ' 101' ' ' SER . 92.1 mt -90.55 -17.27 27.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 75.03 110.409 174.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 p -118.27 -32.76 4.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 64.05 112.346 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.29 154.59 24.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.932 0.396 . . . . 75.12 111.455 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 m -64.8 163.72 13.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.716 -0.675 . . . . 71.25 111.199 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -60.43 -44.34 95.88 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.425 -0.352 . . . . 74.43 111.544 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.34 -30.32 71.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.894 0.378 . . . . 53.22 110.325 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -70.53 -46.72 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 74.22 110.672 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.06 -33.92 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.817 0.341 . . . . 74.15 110.423 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -58.83 -50.07 75.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 62.12 111.158 177.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.78 -35.58 78.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.67 -0.412 . . . . 62.32 110.1 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.772 HD12 ' HB2' ' A' ' 31' ' ' ALA . 47.6 tp -59.24 -49.46 77.77 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.576 -0.284 . . . . 73.15 110.348 176.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' HB2' HD21 ' A' ' 98' ' ' LEU . 24.4 t30 -51.72 -44.61 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 71.42 110.338 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -44.41 97.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 61.12 110.674 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -62.07 -44.61 96.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.285 -0.265 . . . . 74.22 110.285 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.5 mm -58.8 -48.49 86.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.357 178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.564 ' HG2' HG21 ' A' ' 93' ' ' THR . 77.2 mtp180 -59.13 -49.2 78.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 62.21 110.82 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.14 -40.43 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.279 . . . . 50.42 111.582 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.71 86.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.311 . . . . 70.43 111.063 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.438 ' O ' HG12 ' A' ' 83' ' ' ILE . 32.9 m-85 -71.19 -37.96 72.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.528 -0.305 . . . . 74.33 111.19 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.89 -35.43 80.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 72.33 110.377 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -48.89 79.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 73.23 109.321 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.07 82.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.358 -0.837 . . . . 74.1 111.005 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 79' ' ' PHE . 18.7 mm -59.56 -47.38 91.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 74.43 110.653 175.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.76 -38.65 91.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.66 -0.7 . . . . 74.52 110.976 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -78.9 -15.49 58.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.831 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.41 26.72 46.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.124 -0.56 . . . . 36.44 111.779 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -92.26 -28.25 17.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.79 0.329 . . . . 72.32 111.388 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.3 151.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.741 -0.466 . . . . 62.05 109.741 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.8 tt -74.07 -49.61 32.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.527 0.566 . . . . 63.12 112.527 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -153.15 154.94 35.77 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.693 0.282 . . . . 73.01 111.317 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -74.08 135.43 76.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 73.21 110.109 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.681 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 Cg_endo -76.7 0.44 9.58 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 45.1 111.857 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.564 HG21 ' HG2' ' A' ' 76' ' ' ARG . 13.5 p -73.4 86.8 1.52 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.446 0.641 . . . . 73.33 110.316 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.452 ' HB2' ' HD3' ' A' ' 49' ' ' ARG . 78.8 t80 -117.83 -65.31 1.19 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.128 -0.942 . . . . 74.55 109.403 -177.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -112.08 34.47 4.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.179 -0.919 . . . . 74.23 109.447 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.84 79.99 8.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.258 -0.883 . . . . 71.21 110.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.16 134.03 44.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.763 -0.653 . . . . 65.42 110.372 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.6 mt -85.03 114.72 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 65.03 110.706 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -142.65 104.0 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.142 -0.481 . . . . 73.12 109.993 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.45 119.95 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.851 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.63 ' HB2' HD21 ' A' ' 61' ' ' LEU . 53.6 m -119.9 32.67 5.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.302 0.572 . . . . 53.51 110.321 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.7 t -71.78 -21.09 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.17 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 103' ' ' LEU . 1.7 pp -125.2 142.15 51.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.702 0.763 . . . . 70.44 112.684 -174.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -122.54 158.68 29.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.49 -1.3 . . . . 72.45 107.49 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -55.93 150.02 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 71.1 111.318 -176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -77.7 52.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.48 -0.782 . . . . 62.42 110.596 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -84.18 -16.99 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 74.33 111.22 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -124.97 136.25 53.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.475 -0.565 . . . . 72.21 109.475 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -112.67 127.62 56.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.262 -0.426 . . . . 73.2 110.312 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.59 -0.719 . . . . 71.14 109.358 178.256 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.029 -0.36 . . . . 62.15 110.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.67 161.17 40.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 75.33 109.416 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.31 133.99 51.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.547 0.213 . . . . 74.32 110.608 176.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.618 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 30.5 t80 -61.89 -36.44 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 71.33 111.431 -175.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 71.34 110.584 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.21 -38.81 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 61.31 110.639 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -59.85 -48.08 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 73.41 110.97 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.22 -49.01 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.03 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.55 -42.45 87.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 72.23 110.978 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.28 -46.45 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.293 . . . . 74.2 110.253 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -54.72 -46.38 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 74.1 110.179 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 6.2 t80 -60.03 -49.17 78.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 74.24 111.276 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.707 ' HG3' HD23 ' A' ' 17' ' ' LEU . 31.6 tt0 -70.13 -10.28 58.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.098 0.475 . . . . 74.51 111.243 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.14 -26.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.381 . . . . 52.53 111.589 176.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -110.95 -33.3 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.55 0.945 . . . . 74.13 113.55 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.9 mmtt -117.23 -22.78 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.229 0.455 . . . . 71.1 112.229 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.78 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 18.3 tp -47.94 -59.22 6.13 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.485 0.92 . . . . 54.42 113.485 -169.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.78 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 13.4 Cg_endo -91.0 19.51 1.11 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.371 2.047 . . . . 63.21 112.802 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 94.1 m-70 -121.62 -50.51 2.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 74.32 111.436 -174.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 16' ' ' LYS . 21.9 m -81.2 164.46 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 72.15 111.036 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -72.79 160.15 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.507 -0.315 . . . . 64.01 110.526 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 42.3 mt-10 -69.96 -23.39 63.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 54.45 110.286 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -61.83 -43.23 99.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.986 -0.746 . . . . 75.2 108.986 171.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.56 HG22 ' HE2' ' A' ' 28' ' ' TYR . 63.3 m -66.33 -36.95 84.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.541 -0.754 . . . . 74.34 110.511 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.7 mttt -55.87 -37.01 68.23 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.67 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.82 -33.69 76.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 64.15 110.686 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -68.87 -36.97 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.45 110.116 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.56 ' HE2' HG22 ' A' ' 24' ' ' THR . 62.3 m-85 -65.78 -38.21 88.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 73.04 110.73 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.34 -50.97 71.26 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.145 -0.317 . . . . 74.12 110.145 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 t -61.0 -44.47 97.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 74.22 110.602 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.87 -56.13 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.87 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.05 -42.65 90.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.599 -0.728 . . . . 73.23 112.011 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -69.6 -34.11 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.792 -0.363 . . . . 75.4 111.335 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -75.75 -35.86 60.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 63.13 110.481 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.1 mt -62.38 -51.09 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 72.22 110.635 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.522 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.2 ptmt -69.1 -26.99 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 44.15 110.711 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.23 -47.74 84.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.03 -0.532 . . . . 74.12 110.909 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -84.84 -51.19 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.285 -0.416 . . . . 72.14 111.25 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.64 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m-85 -92.55 52.07 1.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.423 . . . . 74.23 111.196 -174.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 36' ' ' LYS . 13.6 mtm180 -60.9 108.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.887 -0.597 . . . . 72.41 111.189 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.29 25.22 14.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.424 -0.807 . . . . 74.02 111.643 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.64 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 2.0 tpmt? -84.42 127.96 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.191 -0.459 . . . . 72.25 109.975 176.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.37 153.45 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 71.03 111.387 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 tp -53.97 -45.12 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.502 -0.772 . . . . 74.21 112.155 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -82.78 -7.86 59.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.563 -0.29 . . . . 74.22 111.587 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.51 6.33 45.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.144 0.497 . . . . 72.3 110.549 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.625 HD11 ' HG2' ' A' ' 42' ' ' LYS . 47.1 mm -68.71 114.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.992 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.55 126.43 30.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 64.04 109.436 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -63.19 -31.69 72.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 70.04 111.036 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -70.63 -40.41 73.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.586 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 75.35 109.933 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE1' HG22 ' A' ' 75' ' ' ILE . 53.7 t80 -64.63 -43.51 93.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 71.41 110.962 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.32 -46.39 80.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.994 0.426 . . . . 64.32 110.078 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -56.96 -40.17 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 55.2 110.7 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CE2' HD22 ' A' ' 71' ' ' LEU . 76.5 t80 -55.24 -48.25 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 75.51 110.631 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.36 -44.32 88.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 72.12 110.602 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.817 ' HA ' ' HB3' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -57.9 -42.55 84.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 51.3 111.24 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -71.65 -42.76 67.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.492 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.99 -39.91 83.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 74.15 111.028 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -81.56 4.73 71.99 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.058 -0.592 . . . . 72.41 113.079 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.0 mt -91.14 -8.53 48.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 73.44 110.393 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 p -135.85 5.57 3.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.012 -0.54 . . . . 70.13 111.644 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -138.98 156.25 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.655 0.264 . . . . 71.31 111.035 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -69.45 157.63 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.808 -0.633 . . . . 73.25 110.577 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.434 ' HA ' HG23 ' A' ' 68' ' ' ILE . 89.8 t80 -59.79 -38.51 82.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 72.11 111.013 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.47 -35.66 81.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.115 0.483 . . . . 72.23 110.27 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 m -70.73 -45.11 65.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.729 -0.669 . . . . 72.41 110.95 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' A' ' 65' ' ' TYR . 7.1 tt -69.35 -34.89 64.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.842 0.353 . . . . 74.32 110.813 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.46 -44.64 90.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.037 0.446 . . . . 75.3 110.028 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.497 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.7 ttmt -61.75 -45.01 95.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.458 -0.792 . . . . 73.34 109.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.446 HD22 ' CE2' ' A' ' 55' ' ' PHE . 23.4 tp -53.87 -56.16 20.17 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.583 -0.735 . . . . 73.11 111.298 172.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.98 -44.73 60.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.029 -0.532 . . . . 71.15 111.335 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.1 m -59.48 -41.28 89.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 74.31 111.037 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 21.2 m-85 -62.89 -54.42 38.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 54.41 110.882 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.618 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 46.4 mt -63.78 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.85 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.51 -43.52 93.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.473 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.444 HD21 ' HA ' ' A' ' 77' ' ' ASN . 3.7 m120 -67.94 -33.97 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 73.12 111.222 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.41 71.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 65.22 111.027 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.422 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 23.0 m-85 -67.82 -37.53 82.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.439 -0.346 . . . . 74.42 110.943 177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.95 -38.25 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 65.45 110.557 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.53 -40.64 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.86 0.362 . . . . 73.12 110.29 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 72.34 111.274 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 90' ' ' LYS . 12.0 tt -73.12 -32.79 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.871 0.367 . . . . 71.24 110.568 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -63.9 -30.01 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.357 0.599 . . . . 75.34 110.131 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.7 -24.57 38.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 75.12 110.213 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.5 26.18 57.42 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.418 -1.073 . . . . 62.14 110.418 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -99.23 0.1 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.864 -0.668 . . . . 72.12 110.899 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.675 HG23 ' H ' ' A' ' 89' ' ' ILE . 5.6 p -156.12 -179.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.934 -0.395 . . . . 52.22 109.934 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.675 ' H ' HG23 ' A' ' 88' ' ' VAL . 28.3 pt -71.96 -168.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.285 . . . . 61.15 111.051 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.677 ' HA ' HD11 ' A' ' 83' ' ' ILE . 19.6 pttp -83.13 39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.011 0.434 . . . . 73.42 111.867 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 84.8 m-20 70.1 131.2 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 115.074 -0.966 . . . . 74.31 113.39 173.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 5.8 Cg_exo -79.81 -4.68 13.55 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.604 2.869 . . . . 71.04 110.943 170.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.46 HG21 ' HE2' ' A' ' 52' ' ' TYR . 1.9 m -79.13 34.65 0.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.391 -0.822 . . . . 63.1 110.531 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.419 ' H ' ' C ' ' A' ' 92' ' ' PRO . 89.6 t80 -71.44 -62.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 63.22 111.07 -177.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -108.95 42.89 1.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.565 0.697 . . . . 74.31 110.62 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.44 97.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 63.52 110.973 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.11 149.28 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.093 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.9 mt -88.28 102.0 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 74.4 110.369 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.817 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . 54.4 t-80 -101.99 96.42 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.674 . . . . 74.43 110.451 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -120.98 108.13 13.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.391 -178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -106.18 11.23 31.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.657 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 60' ' ' GLY . 48.6 t -83.92 98.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.013 -0.54 . . . . 65.54 111.251 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.06 127.47 38.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.573 -0.74 . . . . 50.52 109.068 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -78.56 -49.32 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.089 0.471 . . . . 72.13 109.858 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -107.46 134.86 49.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.167 -0.469 . . . . 65.32 110.446 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -120.03 -65.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 71.2 109.959 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -122.3 144.35 49.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.69 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -94.55 -47.39 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 74.12 110.938 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.1 p80 -153.18 -173.63 4.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 73.43 111.362 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 p80 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.467 -0.788 . . . . 71.41 109.335 176.684 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' HB3' ' A' ' 45' ' ' LYS . 50.5 ttm . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.706 -0.479 . . . . 61.22 109.706 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -93.88 153.1 3.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 CA-C-O 121.754 0.788 . . . . 73.35 112.07 -175.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -73.05 145.92 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.845 -1.071 . . . . 75.15 110.54 174.045 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -65.49 -38.32 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.817 0.303 . . . . 74.25 111.817 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.35 -56.1 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 62.45 110.743 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.08 -39.84 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 74.43 110.67 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 71.9 t80 -60.68 -45.1 95.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.622 . . . . 71.41 111.193 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.29 -47.37 86.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 72.0 111.478 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.481 ' HE1' ' HG2' ' A' ' 29' ' ' GLU . 50.6 t80 -67.92 -42.36 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.521 -0.472 . . . . 71.42 110.949 -176.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 4.8 pp0? -69.47 -35.18 75.36 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.523 -0.471 . . . . 73.22 109.918 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.54 -43.07 84.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.282 0.563 . . . . 74.41 109.734 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 32.9 t80 -67.96 -56.48 8.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.365 -0.834 . . . . 70.1 110.611 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.715 ' HG2' HD21 ' A' ' 17' ' ' LEU . 2.6 tm-20 -56.89 -41.92 78.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.064 -0.516 . . . . 73.42 111.844 -174.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.94 -33.71 56.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 72.02 111.891 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -106.79 -65.68 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.457 -0.497 . . . . 70.44 111.71 -172.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -96.16 94.69 7.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.731 -0.47 . . . . 71.4 109.731 -177.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.715 HD21 ' HG2' ' A' ' 13' ' ' GLU . 16.0 tp -150.0 -59.67 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.406 -0.517 . . . . 63.4 111.575 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.576 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 52.7 Cg_endo -70.29 -17.42 35.16 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.681 1.588 . . . . 75.13 112.169 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -91.85 -9.17 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 74.03 110.603 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.36 171.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.101 -0.499 . . . . 64.54 110.427 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -111.76 171.17 7.65 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.892 -0.41 . . . . 52.54 109.892 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 45.2 mt-10 -62.35 -23.24 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.26 0.467 . . . . 60.1 112.26 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t -60.09 -39.9 87.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 70.02 109.704 172.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 m -75.64 -38.42 58.89 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.087 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 22' ' ' GLU . 25.2 mtpt -56.3 -36.82 69.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.266 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.5 tpt180 -56.29 -37.44 69.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.323 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.79 -47.02 56.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 74.24 110.722 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -64.36 -42.74 96.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 74.51 110.846 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.73 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.69 -40.48 84.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.565 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.4 t -51.39 -48.38 62.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.586 -0.524 . . . . 72.21 109.586 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -57.41 -51.43 69.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.48 -0.782 . . . . 74.01 110.34 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.66 -44.01 80.92 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.9 -0.591 . . . . 73.3 112.401 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.73 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 24.5 mmmt -61.42 -45.12 95.67 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.882 -0.414 . . . . 64.41 109.882 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.49 -32.08 65.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.855 -0.611 . . . . 65.14 110.627 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -64.32 -48.59 84.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 109.854 -0.424 . . . . 62.13 109.854 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HB3' ' HE3' ' A' ' 36' ' ' LYS . 23.1 ttpp -62.72 -28.38 69.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 73.05 110.736 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.09 -46.71 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 71.43 111.455 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -86.77 -27.01 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 72.04 111.169 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.885 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 59.4 m-85 -126.74 83.04 2.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 74.25 110.224 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -77.1 -65.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.934 -0.765 . . . . 75.43 108.934 176.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.425 ' HA ' HG22 ' A' ' 3' ' ' THR . 28.7 m-70 -121.05 82.43 1.92 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.284 -0.871 . . . . 74.22 110.266 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.885 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 14.1 ttmm -139.27 107.72 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.414 -1.266 . . . . 51.23 108.494 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -56.44 151.73 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.498 -0.774 . . . . 74.31 110.353 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.616 ' HG ' HG12 ' A' ' 88' ' ' VAL . 2.7 pt? -71.21 -6.06 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.169 -0.612 . . . . 71.33 111.113 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 5.7 ptmm? -93.75 -8.62 40.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 75.02 110.243 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.93 -32.2 13.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.388 -0.597 . . . . 75.33 109.388 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.8 mt -70.78 134.96 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.045 -0.98 . . . . 73.22 110.24 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.865 ' HG2' ' HG2' ' A' ' 51' ' ' GLU . 13.8 ptpt -139.58 -174.47 3.9 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.469 -0.787 . . . . 73.53 109.02 -177.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.583 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 11.6 ptt180 -58.01 -37.09 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.953 0.353 . . . . 71.53 111.953 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.5 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 70.4 p -71.3 -36.61 71.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 62.24 110.7 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.865 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 15.0 mm-40 -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.378 0.608 . . . . 73.43 109.98 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.463 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 10.0 t80 -69.67 -39.29 77.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.167 -0.924 . . . . 65.21 110.204 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.56 -39.21 79.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.709 -0.678 . . . . 75.31 110.916 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 50' ' ' THR . 63.2 mttm -56.18 -51.87 66.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.305 0.574 . . . . 75.4 110.194 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.645 ' CE2' HD21 ' A' ' 71' ' ' LEU . 61.8 t80 -62.23 -44.55 96.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.929 -1.032 . . . . 74.2 111.014 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.83 -44.67 96.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.369 -0.378 . . . . 73.42 111.252 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.0 m-20 -60.63 -50.62 72.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 73.43 111.567 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.15 -30.4 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 72.3 111.368 -176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.92 -38.93 44.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 74.13 110.77 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' ALA . . . -70.03 -26.37 74.39 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.096 -0.502 . . . . 53.34 112.952 -177.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 89.8 mt -78.51 -7.76 57.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.607 -0.349 . . . . 70.52 111.324 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 p -124.15 4.2 8.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.915 0.339 . . . . 74.13 111.915 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -143.52 165.15 28.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.709 0.29 . . . . 74.15 111.168 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -71.28 159.61 34.29 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.251 -0.432 . . . . 73.22 110.939 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.466 ' H ' HD11 ' A' ' 103' ' ' LEU . 90.2 t80 -58.29 -41.38 84.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.994 -0.548 . . . . 74.33 111.522 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG3' HH21 ' A' ' 69' ' ' ARG . 39.9 tt0 -71.3 -31.42 67.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.099 -0.64 . . . . 62.43 110.554 -177.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.2 m -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.04 0.448 . . . . 71.12 110.328 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.428 HG12 HD21 ' A' ' 98' ' ' LEU . 13.4 tt -73.84 -33.18 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.492 . . . . 73.53 110.673 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.436 HH21 ' HG3' ' A' ' 66' ' ' GLU . 51.6 ttp85 -62.6 -45.81 91.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.735 0.303 . . . . 71.34 111.143 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.519 ' HZ3' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -69.94 -33.89 72.73 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.963 -0.384 . . . . 74.03 109.963 179.39 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' A' ' 55' ' ' PHE . 18.1 tp -56.37 -49.34 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 74.53 110.618 172.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.463 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.8 t30 -55.25 -40.63 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.453 -0.794 . . . . 74.54 110.921 178.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -64.71 -38.68 91.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 72.54 110.907 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -67.06 -48.99 66.58 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.84 0.352 . . . . 73.22 110.747 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.44 HD13 ' HE1' ' A' ' 52' ' ' TYR . 64.3 mt -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 70.25 111.084 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HA ' HG21 ' A' ' 93' ' ' THR . 93.7 mtt180 -63.88 -40.69 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.281 . . . . 75.24 110.711 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -40.61 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.331 . . . . 61.13 110.432 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.12 94.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 72.24 111.588 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -74.27 -31.47 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 74.24 111.363 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.07 -39.26 94.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.84 -0.43 . . . . 73.05 109.84 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 7.1 m-20 -62.93 -47.56 82.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.495 -0.32 . . . . 70.4 110.247 172.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 88' ' ' VAL . . . -55.63 -49.23 73.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 51.42 111.449 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.4 tt -70.14 -32.46 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 74.32 110.772 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -72.68 -25.87 61.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.956 -0.565 . . . . 74.23 110.404 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 10.8 mm-40 -94.49 0.54 55.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 71.55 111.384 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.72 27.16 73.63 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.524 -0.846 . . . . 73.21 111.186 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.13 -52.93 7.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.955 -0.758 . . . . 73.32 108.955 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.616 HG12 ' HG ' ' A' ' 44' ' ' LEU . 31.0 m -140.84 163.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.158 -0.928 . . . . 75.43 108.85 173.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.7 tt -125.55 70.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.084 0.945 . . . . 74.45 110.527 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -147.75 147.87 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.275 -0.875 . . . . 64.25 111.035 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.52 85.91 48.58 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.742 -0.663 . . . . 64.43 109.889 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' A' ' 48' ' ' LYS . 71.7 Cg_endo -75.29 -1.81 11.76 Favored 'Trans proline' 0 CA--C 1.52 -0.191 0 C-N-CA 123.004 2.47 . . . . 72.3 111.78 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 76' ' ' ARG . 9.9 p -84.95 7.49 20.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.269 -0.878 . . . . 72.25 111.509 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.489 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 63.9 t80 -85.31 159.46 20.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.864 -0.791 . . . . 73.02 108.864 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.583 ' HG2' ' HD2' ' A' ' 49' ' ' ARG . 32.6 mmmt 68.22 18.87 9.21 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.677 0.391 . . . . 75.3 110.138 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.82 131.2 50.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.515 -0.766 . . . . 71.14 111.232 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.31 106.35 4.74 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.656 -0.702 . . . . 75.25 109.665 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 HD21 HG12 ' A' ' 68' ' ' ILE . 69.3 mt -79.57 72.1 6.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.632 0.729 . . . . 74.42 109.354 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.62 61.63 3.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.821 -1.082 . . . . 73.52 110.521 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.11 88.85 7.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.79 -0.641 . . . . 72.25 110.758 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -80.17 67.42 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.566 0.698 . . . . 74.44 109.227 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.0 t -141.93 -36.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 114.871 -1.059 . . . . 74.44 109.827 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD11 ' H ' ' A' ' 65' ' ' TYR . 95.4 mt -125.12 39.41 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.41 112.049 -174.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -59.3 112.56 1.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.127 -0.694 . . . . 74.01 109.127 172.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -130.67 120.66 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.188 0.518 . . . . 62.53 111.869 -170.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -101.76 136.49 41.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.532 -0.758 . . . . 70.44 109.45 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.32 154.67 27.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.66 0.267 . . . . 72.34 110.934 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -135.03 133.37 39.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.604 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -128.75 125.1 37.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.242 -0.435 . . . . 75.01 110.42 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.724 -0.655 . . . . 73.53 109.672 174.536 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 C--O 1.242 0.673 0 CA-C-O 121.2 0.524 . . . . 63.41 111.399 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 49.5 p -77.38 161.34 28.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.797 -0.638 . . . . 71.12 110.833 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.61 -40.6 95.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 73.03 110.871 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.1 -56.55 19.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.036 0.446 . . . . 64.03 111.319 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.99 -34.24 77.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.518 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.05 -43.03 93.64 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.3 110.6 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.73 -45.87 81.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 73.45 110.457 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -67.76 -43.08 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 71.22 110.557 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.29 -51.01 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 73.44 110.491 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -52.92 -44.79 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.66 -0.7 . . . . 74.11 110.628 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.548 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 21.5 t80 -62.17 -57.95 9.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.72 -0.673 . . . . 60.32 111.032 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 tt0 -59.81 -34.75 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.686 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.41 -31.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 62.53 111.924 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -111.17 -58.05 2.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.452 0.538 . . . . 54.15 112.452 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 73.6 mmtt -86.83 -24.81 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.772 0.286 . . . . 71.11 111.772 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 19.8 tp -50.9 -53.79 43.92 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.917 0.71 . . . . 74.32 112.917 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.5 Cg_endo -64.81 -10.2 24.11 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.122 1.881 . . . . 71.11 113.656 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -104.35 -11.86 16.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.886 0.375 . . . . 61.13 110.941 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 24' ' ' THR . 33.8 m -116.64 -178.99 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.065 0.46 . . . . 61.21 111.579 -174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -120.59 177.89 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.997 -0.547 . . . . 64.31 110.278 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.61 -30.22 71.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.37 . . . . 72.03 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -60.56 -33.39 72.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.241 0.543 . . . . 71.25 109.75 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 20' ' ' VAL . 1.6 m -80.48 -33.82 36.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.436 -0.802 . . . . 73.03 110.246 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.85 -47.52 80.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.968 -0.56 . . . . 75.21 111.216 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -62.66 -29.34 70.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.527 -0.306 . . . . 71.2 111.187 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -65.84 -52.21 52.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.89 0.376 . . . . 74.13 110.166 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HE1' HG22 ' A' ' 24' ' ' THR . 46.3 m-85 -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.575 . . . . 74.23 111.245 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.6 -35.86 79.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.687 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -66.57 -40.04 88.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.195 0.521 . . . . 41.24 109.913 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -62.98 -46.4 87.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.705 -0.679 . . . . 74.41 109.89 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 18.2 t80 -56.03 -38.34 70.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.216 -0.902 . . . . 71.13 111.305 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 95.5 mttt -61.73 -43.17 99.37 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 120.791 0.329 . . . . 75.14 111.288 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -71.63 -34.08 69.5 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.227 -0.589 . . . . 74.1 110.32 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.19 -51.02 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.863 -0.608 . . . . 60.24 110.702 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 19.7 ptmt -65.88 -26.9 67.84 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 120.748 0.308 . . . . 65.3 110.895 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.87 -49.28 78.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 75.35 111.056 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -87.16 -49.27 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.248 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 44.5 m-85 -101.3 77.37 1.79 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.073 -0.512 . . . . 43.24 110.091 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 86.0 mtt180 -82.73 -67.29 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.625 -0.716 . . . . 74.43 111.0 -174.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -102.09 18.31 21.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.827 0.822 . . . . 52.3 109.091 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.668 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 51.8 tptt -80.43 114.35 19.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.455 -1.248 . . . . 71.11 110.137 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 92.6 mt -67.6 151.0 48.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.832 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.55 -35.1 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.821 -0.627 . . . . 64.1 111.952 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -92.66 8.86 37.31 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.405 0.52 . . . . 65.35 112.405 -171.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.23 -1.23 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.831 -0.348 . . . . 63.45 111.422 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.465 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 17.8 mm -64.89 119.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.705 0.288 . . . . 75.03 111.066 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.69 149.76 22.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.681 -0.488 . . . . 64.23 109.681 173.686 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -70.21 -23.16 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.289 . . . . 74.33 111.261 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 17.2 p -69.57 -44.66 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.514 -0.312 . . . . 63.13 111.105 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 16.0 pt-20 -74.88 -30.58 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 64.12 110.293 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.59 ' HE1' HG21 ' A' ' 75' ' ' ILE . 78.7 t80 -61.28 -39.89 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.289 0.566 . . . . 71.14 109.737 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -43.57 98.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.333 -0.849 . . . . 73.31 109.444 176.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 50' ' ' THR . 66.1 mmtt -65.99 -33.61 76.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.968 -0.56 . . . . 32.45 110.637 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.6 t80 -61.5 -44.69 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.608 -0.724 . . . . 51.22 110.536 176.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.31 -39.46 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 61.4 111.412 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.15 -42.57 91.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 71.13 110.858 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -71.51 -38.16 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.954 -0.567 . . . . 74.12 110.385 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.07 -35.07 77.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.27 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.44 -5.51 67.77 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.741 -0.663 . . . . 54.55 112.766 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 101' ' ' SER . 83.5 mt -90.28 -21.04 22.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.962 0.41 . . . . 64.2 110.573 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 p -110.63 -16.49 13.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 65.13 112.209 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.426 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.8 m80 -136.14 162.65 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.149 -0.344 . . . . 74.05 111.23 -174.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.8 m -78.56 174.86 10.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 73.35 111.302 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' HG22 ' A' ' 68' ' ' ILE . 67.3 t80 -61.32 -45.39 94.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.244 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 30.1 tt0 -60.12 -34.42 73.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.929 0.395 . . . . 75.12 110.347 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 1.5 m -72.13 -44.43 63.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.826 -0.625 . . . . 73.21 111.123 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.2 tt -73.57 -34.48 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 73.35 110.85 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -62.99 -48.81 77.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 62.14 110.88 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.7 ptpt -66.11 -35.77 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.731 -0.387 . . . . 75.34 110.261 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 ' HB1' ' A' ' 31' ' ' ALA . 24.2 tp -54.98 -48.92 72.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.392 . . . . 62.41 110.298 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.5 t30 -56.59 -47.26 79.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 74.34 111.012 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 p -64.05 -31.91 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.997 -0.281 . . . . 43.32 111.531 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -67.35 -49.97 61.85 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.629 -0.508 . . . . 74.4 109.629 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.59 HG21 ' HE1' ' A' ' 52' ' ' TYR . 73.9 mt -62.37 -43.64 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.604 -0.726 . . . . 74.42 110.67 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -57.53 -45.22 85.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.524 . . . . 73.44 110.847 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -70.72 -31.58 68.47 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.698 -0.228 . . . . 63.12 111.282 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.72 92.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.877 0.37 . . . . 62.23 110.48 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.465 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 62.7 m-85 -72.91 -35.0 66.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.868 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 83' ' ' ILE . 25.5 t70 -63.55 -39.65 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 72.23 110.541 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 16.0 t70 -68.54 -49.52 58.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 74.13 109.944 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.41 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.858 -0.61 . . . . 71.22 111.724 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -71.76 -32.12 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 60.43 109.84 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.74 -36.3 83.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.619 -0.719 . . . . 74.24 109.909 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.2 mm-40 -86.83 -7.68 58.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.452 -0.795 . . . . 73.3 110.567 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.82 29.04 36.17 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.839 -0.619 . . . . 54.41 112.154 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -103.07 -48.97 3.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.602 0.239 . . . . 73.4 111.284 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 45' ' ' LYS . 3.7 p -99.99 155.62 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.683 -0.407 . . . . 54.34 110.113 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 tt -131.1 -27.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.329 -0.396 . . . . 63.33 111.151 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -101.83 114.82 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.721 0.296 . . . . 74.33 110.938 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -105.38 107.65 59.6 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.202 -0.666 . . . . 73.34 109.202 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.18 13.68 2.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.002 2.468 . . . . 75.43 113.238 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -75.45 2.35 11.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.482 0.549 . . . . 73.23 112.482 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.01 -41.36 91.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.077 0.465 . . . . 72.44 110.525 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 mmtp -106.97 41.97 1.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 44.23 110.774 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.89 63.66 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.819 -0.628 . . . . 71.23 110.615 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HB3' ' ND1' ' A' ' 99' ' ' HIS . 34.8 mt-10 -75.57 112.31 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.566 -0.743 . . . . 71.23 111.242 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.3 mt -80.89 65.62 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.847 -0.615 . . . . 71.12 110.744 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.512 ' ND1' ' HB3' ' A' ' 97' ' ' GLU . 54.9 m80 -93.67 85.9 5.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 74.4 111.29 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.44 92.2 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.602 -0.888 . . . . 31.41 108.602 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.578 ' HB2' HD23 ' A' ' 61' ' ' LEU . 19.9 m . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.795 -0.639 . . . . 62.45 111.23 -171.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.552 0.691 . . . . 75.03 111.37 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.15 153.44 26.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.107 -0.951 . . . . 62.33 110.57 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 28.7 t80 -59.33 -42.14 90.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.747 -0.206 . . . . 73.22 111.44 -176.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 75.44 110.706 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.06 -37.5 87.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.669 -0.696 . . . . 70.14 110.98 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -67.14 -46.23 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 74.12 110.921 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.08 -48.35 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.327 0.392 . . . . 70.31 110.742 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.5 -42.92 82.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 73.14 110.544 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.0 tt0 -63.45 -47.78 80.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 63.45 110.109 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.4 t90 -55.61 -46.61 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.669 -0.696 . . . . 74.21 110.158 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.48 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 16.8 t80 -60.33 -48.51 81.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 73.44 111.36 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.832 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.0 tt0 -66.6 -24.56 66.35 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.855 0.36 . . . . 63.13 111.527 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLN . 59.0 t -89.25 -26.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.109 0.481 . . . . 75.33 110.764 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.939 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -101.73 -55.22 2.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.744 0.646 . . . . 44.34 112.744 -167.743 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 3.2 mptp? -109.73 -12.59 14.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.751 0.648 . . . . 73.51 112.751 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.832 HD22 ' HG3' ' A' ' 13' ' ' GLU . 28.0 tp -46.88 -57.04 9.88 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 113.113 0.783 . . . . 52.3 113.113 -171.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 96.7 Cg_endo -79.05 -0.94 11.18 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 121.621 1.547 . . . . 55.34 113.187 -176.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -108.51 -27.78 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.767 0.284 . . . . 61.23 111.767 -174.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.767 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.3 m -96.88 142.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.402 0.62 . . . . 74.45 111.482 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.7 m -80.95 173.97 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.43 -0.804 . . . . 54.41 110.258 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.8 pm0 -56.45 -36.71 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 73.44 111.166 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -56.04 -41.95 75.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.141 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.767 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -79.53 -30.68 41.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 72.03 110.621 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 21' ' ' SER . 7.9 mtpm? -60.65 -38.81 86.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.309 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 8.5 mmt-85 -58.83 -38.14 77.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 70.14 110.7 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -60.53 -54.81 40.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 75.4 110.931 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -64.33 -43.23 95.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 73.55 112.023 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.597 0.237 . . . . 63.31 111.603 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.4 m -74.45 -37.65 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 72.2 109.986 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.51 -44.52 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 65.1 110.085 175.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -57.3 -45.92 83.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.46 -0.791 . . . . 75.33 111.943 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -67.05 -34.28 77.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.622 -0.431 . . . . 62.25 111.159 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -70.33 -33.5 71.57 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.909 0.385 . . . . 54.04 110.722 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.3 mt -67.0 -46.74 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 72.12 110.511 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.47 -36.65 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 64.52 110.498 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.43 -50.46 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.906 . . . . 70.24 111.682 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.31 -56.48 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.44 0.533 . . . . 73.25 112.44 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 77.4 m-85 -84.73 59.51 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.337 0.589 . . . . 70.51 111.299 -173.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -65.49 114.8 5.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.558 -0.746 . . . . 72.43 110.221 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.4 m170 65.08 21.44 12.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.034 -0.53 . . . . 73.3 111.12 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 9.6 tptp -80.2 118.82 22.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.035 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.4 149.81 45.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.876 -0.602 . . . . 73.01 110.005 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.06 -30.74 71.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.153 0.501 . . . . 73.34 111.047 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -91.72 4.91 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.932 -0.576 . . . . 74.51 111.193 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.34 76.36 1.72 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.539 -0.3 . . . . 54.52 110.442 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 37.1 mt -142.14 128.23 18.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.173 0.511 . . . . 63.33 110.039 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.717 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 88.5 mttt -89.53 154.33 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.508 -0.769 . . . . 62.25 110.449 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.56 HH21 ' HG2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -57.69 -37.98 74.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.625 -0.716 . . . . 72.5 111.127 176.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -28.93 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.31 . . . . 73.44 111.418 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 48.4 mt-10 -72.24 -35.74 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 74.22 109.614 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 31.5 t80 -72.05 -41.14 67.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.678 . . . . 75.12 109.776 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 95' ' ' LYS . 25.9 tm0? -56.05 -46.58 78.86 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.682 -0.69 . . . . 74.35 109.373 173.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -56.16 -53.43 57.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.272 -0.876 . . . . 65.44 110.502 176.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE2' HD21 ' A' ' 71' ' ' LEU . 83.5 t80 -54.1 -47.19 72.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.528 -0.76 . . . . 63.5 111.455 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 96' ' ' ALA . 76.5 mt -64.91 -39.19 93.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.422 -0.354 . . . . 74.53 111.379 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -61.9 -46.98 87.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.102 -0.239 . . . . 71.3 110.947 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 6.2 mm-40 -64.29 -37.36 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.331 0.586 . . . . 65.44 109.968 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.94 -41.39 78.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.654 -0.703 . . . . 75.01 110.902 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.77 75.38 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.019 -0.537 . . . . 75.33 112.795 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -82.56 -12.82 57.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.781 0.324 . . . . 73.51 110.923 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -141.41 18.22 2.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.074 0.464 . . . . 74.52 111.107 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -144.79 158.65 43.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 75.1 111.226 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -77.23 162.1 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.771 -0.65 . . . . 70.44 111.008 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -60.02 -42.3 94.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 71.53 111.696 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.5 -31.12 71.03 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.328 -0.549 . . . . 71.52 111.405 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -68.29 -44.03 76.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.875 0.369 . . . . 72.3 110.201 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -72.33 -33.36 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.281 -0.418 . . . . 55.11 110.203 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -57.33 -46.22 83.49 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.41 -0.359 . . . . 71.22 110.345 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -39.95 81.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.122 -0.49 . . . . 64.52 110.814 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.594 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.2 tp -53.23 -51.26 62.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.248 -0.433 . . . . 64.11 110.52 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 26.1 t30 -51.85 -53.51 39.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 74.13 111.438 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -59.03 -32.24 69.55 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.398 0.518 . . . . 62.33 112.398 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -69.63 -54.32 14.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.032 0.444 . . . . 74.15 110.093 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.524 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.2 mt -63.72 -41.51 92.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.649 -0.705 . . . . 73.43 110.797 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -59.77 -43.87 94.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.974 -0.557 . . . . 70.41 110.425 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.412 ' ND2' ' HZ2' ' A' ' 11' ' ' TRP . 65.3 t30 -66.0 -35.3 80.19 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.713 0.292 . . . . 73.55 110.534 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.98 72.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.076 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -69.13 -34.07 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 71.21 110.933 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 83' ' ' ILE . 12.9 t70 -65.42 -39.11 91.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 60.42 110.374 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.4 t70 -64.02 -47.81 78.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.029 0.442 . . . . 73.14 109.859 174.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.71 -45.75 81.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.623 -0.717 . . . . 70.35 111.686 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 80' ' ' ASP . 9.4 tt -70.76 -33.06 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.919 -0.312 . . . . 71.43 111.147 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -64.97 -27.58 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.389 . . . . 74.11 110.366 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 55.9 mm-40 -90.88 -6.43 54.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 71.43 110.796 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.67 26.77 70.69 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.422 -0.671 . . . . 73.22 111.422 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -84.6 -32.97 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.157 -0.522 . . . . 74.13 110.268 -175.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.84 164.97 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.216 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.3 pt -101.5 -32.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.838 0.681 . . . . 74.41 112.838 -173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -137.13 173.32 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.983 0.42 . . . . 65.44 111.768 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -112.7 113.84 50.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 74.04 111.115 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 47' ' ' ILE . 96.6 Cg_endo -82.86 8.35 4.65 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.598 2.199 . . . . 73.32 111.016 172.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -79.28 -0.01 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.443 -0.799 . . . . 70.42 111.911 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 36.3 t80 -86.35 155.96 20.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.683 -0.858 . . . . 71.4 108.683 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . 28.4 mmtt 71.46 21.25 4.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 123.639 0.587 . . . . 71.2 109.521 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 56' ' ' LEU . . . -78.07 47.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.436 -0.802 . . . . 55.24 110.12 176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.02 106.81 3.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.435 -0.802 . . . . 72.14 109.836 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.434 HD22 HG12 ' A' ' 68' ' ' ILE . 59.0 mt -75.45 82.39 2.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.584 -0.734 . . . . 61.54 110.225 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -103.13 102.05 12.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.36 -0.837 . . . . 74.32 110.143 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.33 107.91 19.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.874 -0.603 . . . . 54.22 109.844 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.163 0.506 . . . . 72.13 110.342 178.535 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.4 tt . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.808 -0.441 . . . . 63.43 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -70.65 146.61 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 74.54 109.869 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 22.5 t80 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.526 0.203 . . . . 73.54 111.235 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.24 74.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.342 . . . . 65.34 111.292 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.456 ' OD2' HD11 ' A' ' 2' ' ' ILE . 29.6 t70 -71.98 -36.18 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.416 -0.356 . . . . 70.43 110.441 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HB2' HG23 ' A' ' 2' ' ' ILE . 81.9 t80 -64.41 -44.2 92.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.781 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.94 -46.28 89.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.725 0.298 . . . . 74.44 110.519 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.25 -46.29 77.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 63.53 110.355 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 61.4 tt0 -59.58 -46.33 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 70.11 110.383 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 55.5 t90 -56.46 -51.65 67.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 71.21 110.445 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 15.2 t80 -59.37 -43.76 92.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 71.31 111.212 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.718 ' HG3' HD22 ' A' ' 17' ' ' LEU . 39.4 tt0 -59.58 -36.84 77.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.365 -0.379 . . . . 73.1 111.5 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLN . 18.2 t -90.18 -22.05 6.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.026 0.441 . . . . 42.31 111.072 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -102.3 -47.17 4.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.576 0.584 . . . . 72.14 112.576 -166.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 73.4 mmtt -120.64 -18.95 7.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.178 0.436 . . . . 74.22 112.178 -171.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' HG3' ' A' ' 13' ' ' GLU . 24.4 tp -51.5 -54.93 33.8 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.782 0.66 . . . . 72.22 112.782 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 79.9 Cg_endo -83.87 21.18 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.898 1.732 . . . . 74.02 112.995 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.93 -56.66 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.837 0.31 . . . . 63.33 111.837 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.1 m -71.09 149.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.283 0.563 . . . . 74.51 112.091 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.1 m -67.55 165.95 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.47 -0.786 . . . . 64.42 110.787 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.47 -32.67 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.14 110.436 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -60.16 -32.46 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 62.44 110.523 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 62.9 m -87.1 -31.78 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 61.02 110.758 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -56.7 -39.01 73.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 74.42 111.019 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -70.29 -27.86 64.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 73.5 111.38 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -60.14 -51.13 70.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.849 -0.426 . . . . 71.55 109.849 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -63.91 -42.83 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.672 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -55.03 -49.95 70.28 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.068 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 m -66.75 -38.34 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.857 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.71 92.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 21.53 110.502 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.96 -35.21 74.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.53 -0.759 . . . . 74.4 111.096 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 59.5 mttm -60.46 -46.07 91.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.14 0.495 . . . . 74.14 110.305 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB3' ' HE1' ' A' ' 55' ' ' PHE . 85.4 m-70 -73.12 -34.23 66.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.639 -0.71 . . . . 74.12 111.166 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.86 -44.69 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.898 0.38 . . . . 60.02 110.187 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -63.5 -26.78 68.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 70.34 110.786 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.37 -51.73 27.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 71.4 111.268 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.38 -35.99 18.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.018 0.747 . . . . 74.23 113.018 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 82.7 m-85 -119.93 84.71 2.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.626 0.727 . . . . 63.34 111.937 -173.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -98.14 114.86 27.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.046 -0.979 . . . . 73.24 110.575 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 63.4 m170 68.9 5.19 4.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.045 0.538 . . . . 62.02 112.07 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 34.7 tttp -81.34 125.65 30.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.786 0.327 . . . . 70.01 110.967 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.55 148.9 40.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.949 -0.568 . . . . 75.32 110.567 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 2.6 pt? -67.13 -28.92 68.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.879 0.371 . . . . 64.02 111.057 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -81.06 -15.88 54.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 73.31 110.097 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -95.39 -3.96 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.422 -0.808 . . . . 74.12 110.027 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.09 118.91 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 63.53 110.811 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.9 mtpm? -66.66 120.99 14.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.998 -0.741 . . . . 71.31 108.998 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -67.86 -27.18 66.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.113 0.482 . . . . 72.33 110.286 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -33.34 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 71.21 110.44 172.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' ' 48' ' ' LYS . 10.0 tp10 -70.97 -38.45 72.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.208 -0.664 . . . . 75.22 109.208 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -64.13 -43.32 95.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.534 -0.757 . . . . 75.11 110.011 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 73.52 109.821 174.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.25 -42.53 86.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.213 -0.448 . . . . 51.32 111.089 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 71.2 t80 -56.32 -46.62 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.63 -0.714 . . . . 72.31 110.849 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -42.42 94.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.53 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 94.7 m-20 -60.58 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.686 -0.234 . . . . 71.34 111.14 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -62.26 -36.0 80.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.437 . . . . 75.03 110.325 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -68.87 -42.51 76.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.383 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.2 -11.02 79.25 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 116.101 -0.499 . . . . 74.44 112.995 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -87.9 -14.18 40.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 55.21 110.657 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 p -128.58 9.15 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.225 0.454 . . . . 65.12 112.225 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -147.28 175.18 10.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 74.25 110.482 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.4 t -88.23 169.77 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.44 -0.345 . . . . 74.31 110.606 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.8 t80 -64.32 -42.24 96.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 72.4 111.103 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 3.9 mm-40 -61.22 -35.74 78.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 75.42 110.869 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -68.89 -45.5 70.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.045 -0.525 . . . . 72.33 110.73 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.581 HG12 HD22 ' A' ' 98' ' ' LEU . 11.2 tt -73.32 -34.69 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.44 -0.345 . . . . 63.41 111.04 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -68.65 -41.14 79.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.096 -0.335 . . . . 71.13 110.096 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 13.5 mptt -55.46 -50.58 69.47 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.611 -0.514 . . . . 62.53 109.611 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 42.8 tp -53.79 -56.86 13.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.391 -0.822 . . . . 73.32 111.705 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.5 t30 -56.51 -39.53 73.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.792 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -37.71 85.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 75.31 110.995 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -70.47 -50.33 39.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 71.42 110.375 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 73.9 mt -63.79 -42.96 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.008 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.579 ' HA ' HG21 ' A' ' 93' ' ' THR . 40.9 ttt-85 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 74.34 110.291 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.16 -33.93 76.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 62.14 110.615 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -46.55 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.065 0.459 . . . . 52.1 110.475 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 54.2 m-85 -74.82 -33.75 62.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 72.03 111.474 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 32.0 t70 -66.42 -34.4 77.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.313 -0.403 . . . . 72.32 110.381 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 9.7 t70 -73.42 -38.25 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.267 0.556 . . . . 74.33 109.833 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.69 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 62.42 110.771 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.84 -30.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.166 0.508 . . . . 70.42 110.241 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.7 t-80 -57.84 -25.19 60.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.369 -0.832 . . . . 54.52 111.105 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -118.14 -4.22 11.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.795 0.331 . . . . 41.12 111.365 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.5 21.45 47.97 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.75 -0.738 . . . . 65.3 112.137 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.98 -24.23 59.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 64.34 110.086 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.58 143.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.783 . . . . 73.31 108.887 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.52 -31.59 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.754 0.312 . . . . 73.4 111.542 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -138.77 135.1 34.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.655 0.264 . . . . 61.41 110.482 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 m-20 -89.45 127.16 55.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 72.45 110.902 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 7.3 Cg_exo -74.83 8.26 2.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.244 2.629 . . . . 75.33 112.633 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 76' ' ' ARG . 7.1 p -81.85 5.92 17.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 41.42 110.686 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -76.24 141.1 41.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 74.41 110.457 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 tptp 72.83 4.04 4.86 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.328 0.651 . . . . 64.13 111.393 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -74.94 145.34 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 61.24 111.197 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -138.7 155.81 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 63.22 110.21 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HG12 ' A' ' 68' ' ' ILE . 85.7 mt -114.88 96.48 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.581 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -121.5 94.88 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 65.14 111.024 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.76 87.36 5.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.26 -0.645 . . . . 72.42 109.26 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 70.32 111.598 -172.864 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.607 ' N ' ' HH ' ' A' ' 87' ' ' TYR . 14.7 tt . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.504 0.192 . . . . 75.44 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 23.0 p -76.56 149.59 36.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.063 -0.347 . . . . 73.42 110.063 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 24.9 t80 -66.46 -38.85 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.691 -0.232 . . . . 74.54 111.255 -175.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 63.52 111.062 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.48 ' OD2' HD11 ' A' ' 2' ' ' ILE . 38.2 t70 -68.95 -40.23 79.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 55.13 110.622 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -59.92 -46.31 89.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.956 -0.565 . . . . 73.2 110.511 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.59 -44.58 96.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.506 . . . . 74.01 110.975 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.91 -45.3 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 71.15 111.002 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.03 -46.23 85.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.206 0.527 . . . . 73.41 110.035 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' HZ2' ' ND2' ' A' ' 77' ' ' ASN . 79.2 t90 -55.19 -47.67 74.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.683 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 5.4 t80 -65.38 -50.34 65.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 64.35 111.905 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.77 -24.75 67.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.336 0.495 . . . . 73.15 112.336 -171.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.72 -23.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.819 0.303 . . . . 64.51 111.819 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -111.81 -31.37 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.468 0.914 . . . . 41.23 113.468 -169.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.1 mptp? -113.39 -16.77 12.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.452 -0.499 . . . . 72.24 112.308 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.3 tp -50.49 -59.02 8.06 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.059 0.762 . . . . 75.51 113.059 -171.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 87.5 Cg_endo -86.05 15.82 2.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.143 1.895 . . . . 31.21 113.367 -174.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -123.41 -51.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.791 -0.364 . . . . 73.42 111.805 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.65 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 25.3 m -79.53 151.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 74.33 111.682 -173.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 36.9 m -73.54 171.3 13.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 45.22 110.68 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -65.29 -25.38 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 71.34 111.398 -178.571 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 p -62.66 -42.64 99.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 44.14 110.0 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.65 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.4 m -73.32 -31.7 64.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.768 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 28.7 mmtm -56.58 -45.21 81.48 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 109.139 -0.689 . . . . 63.22 109.139 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -57.25 -43.68 83.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.177 -0.92 . . . . 74.34 110.911 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -57.85 -53.31 59.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.351 -0.386 . . . . 74.3 111.124 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -64.26 -41.12 97.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.708 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.44 -42.68 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.902 -0.319 . . . . 55.14 110.81 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 64.23 110.497 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.72 67.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.954 0.407 . . . . 42.43 110.499 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.57 -43.19 84.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 72.53 112.018 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -71.03 -32.5 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.849 -0.34 . . . . 50.2 111.673 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -74.86 -36.12 62.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.893 -0.323 . . . . 60.32 110.683 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.496 HG23 ' HD2' ' A' ' 39' ' ' PHE . 77.6 mt -62.43 -50.9 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 62.51 110.144 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -63.75 -27.78 69.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 72.41 110.632 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.755 -0.657 . . . . 75.54 111.174 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -86.79 -54.94 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.025 0.44 . . . . 75.34 111.514 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' HD2' HG23 ' A' ' 35' ' ' ILE . 45.9 m-85 -88.67 63.84 7.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.555 0.693 . . . . 75.44 111.106 -171.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -69.18 111.8 5.36 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.03 -0.986 . . . . 74.12 110.394 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.3 m170 64.85 25.16 12.83 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.93 -0.577 . . . . 74.14 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 132.25 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.856 0.36 . . . . 60.45 110.616 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 15.5 mt -74.91 156.19 36.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.387 -0.597 . . . . 60.4 109.387 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.7 pt? -64.59 -32.78 74.58 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.09 -0.244 . . . . 73.35 111.64 -176.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 88' ' ' VAL . 15.5 ptmt -93.27 -1.85 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 72.21 110.596 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 36.3 t70 -92.41 -6.54 49.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.63 0.728 . . . . 61.25 109.391 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -67.59 98.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.003 -0.999 . . . . 73.4 109.575 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 51' ' ' GLU . 48.1 tttp -59.72 138.58 57.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.236 -0.653 . . . . 64.34 109.236 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.827 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -60.28 -42.72 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 73.34 110.653 -176.197 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -70.69 -27.87 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.915 -0.584 . . . . 65.41 110.934 178.683 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 10.4 tp10 -70.61 -38.12 73.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 70.55 109.759 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE1' HD13 ' A' ' 75' ' ' ILE . 58.4 t80 -65.18 -37.3 86.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.53 -0.759 . . . . 74.23 109.912 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 50' ' ' THR . 5.1 tp-100 -54.75 -57.23 12.35 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.651 -0.704 . . . . 62.24 110.02 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -51.4 -39.8 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.697 -0.683 . . . . 75.54 111.639 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 64.3 t80 -60.96 -51.49 69.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.386 -0.37 . . . . 65.31 110.634 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 68' ' ' ILE . 93.4 mt -65.99 -38.13 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.374 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.8 t-20 -53.97 -53.46 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.649 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.92 -40.35 91.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.06 -0.518 . . . . 71.14 110.881 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.35 -39.01 88.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.513 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.21 -15.6 81.32 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 116.128 -0.487 . . . . 55.15 112.687 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 79.0 mt -84.6 -13.26 52.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.697 0.284 . . . . 75.23 110.553 176.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 p -121.41 -0.47 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.106 0.41 . . . . 74.04 112.106 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -143.09 168.69 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.567 0.222 . . . . 61.15 110.616 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -82.29 172.81 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.361 -0.381 . . . . 65.32 111.19 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 65.2 t80 -61.27 -47.5 85.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 74.23 111.724 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 69' ' ' ARG . 9.7 mm-40 -60.05 -33.88 72.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.737 0.273 . . . . 75.12 111.737 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -48.36 69.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 73.13 110.677 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' LEU . 11.7 tt -72.61 -34.05 46.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.242 -0.436 . . . . 65.32 110.384 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 71.4 ttt180 -60.99 -50.36 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 75.34 110.357 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.26 -47.66 82.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 73.52 110.725 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 32.9 tp -53.17 -54.7 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 62.52 111.105 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 26.5 t-20 -62.64 -33.49 75.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 74.01 111.197 -178.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -61.21 -47.92 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.439 -0.346 . . . . 73.24 111.032 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.76 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.97 0.415 . . . . 73.33 110.097 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.43 HD13 ' HE1' ' A' ' 52' ' ' TYR . 83.4 mt -62.94 -42.07 95.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.477 -0.783 . . . . 63.33 111.017 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 64.3 mtt180 -59.45 -48.52 81.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.849 0.357 . . . . 71.14 110.438 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.435 ' ND2' ' HZ2' ' A' ' 11' ' ' TRP . 65.2 t30 -66.68 -36.1 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.858 -0.61 . . . . 54.11 110.924 -175.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.85 97.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.429 . . . . 74.13 110.507 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.04 -30.37 62.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 64.54 111.217 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 83' ' ' ILE . 38.3 m-20 -56.39 -44.32 80.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 62.41 110.403 174.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -68.89 -35.21 76.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.423 -0.353 . . . . 72.15 110.742 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -68.45 -44.18 75.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 74.34 111.243 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 80' ' ' ASP . 13.6 tt -67.81 -28.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 70.31 111.231 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -54.88 -32.04 60.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.728 0.299 . . . . 73.12 110.374 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.62 -32.54 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.403 0.621 . . . . 73.24 109.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.08 25.83 5.72 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.48 -0.782 . . . . 74.32 111.714 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.607 ' HH ' ' N ' ' A' ' 2' ' ' ILE . 0.4 OUTLIER -59.81 -55.37 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.299 0.571 . . . . 73.41 109.77 179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' HB3' ' A' ' 45' ' ' LYS . 39.4 t -120.5 122.77 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.757 -0.656 . . . . 65.14 109.296 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.1 tt -78.6 -32.54 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.447 . . . . 75.11 111.371 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -125.16 102.57 7.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.858 -0.423 . . . . 71.02 109.858 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.92 143.63 87.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 73.43 110.946 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 36.9 Cg_exo -62.3 -9.45 15.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.299 2.666 . . . . 75.15 113.033 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 p -75.74 77.84 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.24 0.543 . . . . 74.43 110.686 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.827 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 55.1 t80 -87.48 -78.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 73.35 109.678 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -112.8 84.7 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.634 0.731 . . . . 71.42 109.602 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.42 94.26 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.114 -0.948 . . . . 55.42 110.148 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -100.01 108.91 21.22 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.46 -0.791 . . . . 73.25 110.46 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.51 43.3 0.96 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.587 -0.733 . . . . 63.02 109.951 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -85.2 81.95 8.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.021 -0.991 . . . . 75.33 110.541 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 107.86 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.605 . . . . 73.13 110.591 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 70.03 111.95 -177.361 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.12 -0.326 . . . . 75.23 110.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.1 p -77.36 152.86 34.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.308 -0.256 . . . . 63.01 110.308 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 17.5 t80 -63.83 -44.14 94.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.346 -0.388 . . . . 73.14 110.812 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.43 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 61.41 111.288 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.48 -39.29 77.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 71.22 110.914 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.8 -42.29 99.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 72.04 110.785 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.24 -44.74 88.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 64.5 110.394 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.04 -42.88 72.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.695 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.03 0.443 . . . . 72.21 110.114 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.587 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 73.0 t90 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.863 . . . . 72.23 110.571 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.581 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 34.0 t80 -60.44 -50.76 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.479 -0.328 . . . . 73.34 111.213 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.78 -34.67 54.35 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.95 0.781 . . . . 74.35 111.802 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.3 t -92.27 -33.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 42.11 111.786 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -98.7 -54.35 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.164 0.802 . . . . 72.43 113.164 -163.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.9 mmtt -104.79 -11.59 16.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.088 0.403 . . . . 73.2 112.088 -168.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.645 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 13.0 tp -49.61 -56.61 15.73 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 112.723 0.638 . . . . 74.45 112.723 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 98.9 Cg_endo -82.95 12.81 2.82 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.982 1.788 . . . . 75.32 113.63 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -120.46 -23.62 6.07 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.624 -0.431 . . . . 74.12 111.727 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 26.1 m -98.8 158.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.394 . . . . 75.33 111.46 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 p -86.05 173.4 9.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 73.54 110.629 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.671 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -62.76 -36.61 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 63.43 111.358 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -61.8 -36.81 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.055 0.455 . . . . 71.33 110.113 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.649 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -71.35 -34.56 70.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 61.02 110.05 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 3.6 mmmm -55.33 -46.76 76.33 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.432 -0.581 . . . . 62.14 109.432 173.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 26' ' ' ARG . 15.5 mmm-85 -58.42 -41.8 85.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.593 -0.73 . . . . 72.42 111.335 178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -62.15 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 73.3 111.119 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.46 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 37.0 m-85 -65.18 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.552 -0.294 . . . . 72.31 111.006 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 46.8 mt-10 -56.42 -54.27 47.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.783 -0.451 . . . . 61.21 109.783 172.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.1 t -54.79 -48.2 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.412 -0.813 . . . . 51.12 110.287 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -56.02 26.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 43.15 111.001 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -57.19 -44.81 83.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 63.22 111.826 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 51.4 mtpt -69.28 -37.4 77.83 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.648 0.261 . . . . 74.32 111.407 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -74.04 -34.83 64.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 119.961 -0.696 . . . . 72.01 110.352 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.61 -51.06 76.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.014 -0.539 . . . . 74.01 110.784 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 14.2 ptmm? -64.53 -26.24 68.34 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.597 0.237 . . . . 64.24 110.945 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.3 -49.94 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 72.23 111.324 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.63 -33.49 58.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 72.13 110.89 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 60.0 m-85 -121.31 92.41 3.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.382 -0.599 . . . . 74.32 109.382 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 26.2 mmt180 -72.8 -54.08 9.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.671 -0.695 . . . . 64.03 111.748 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -130.07 23.41 5.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.377 0.608 . . . . 61.25 110.221 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' PHE . 5.4 tptp -66.32 129.29 39.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.211 -0.904 . . . . 72.21 109.675 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 86.5 mt -70.87 159.09 35.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.748 0.308 . . . . 65.4 110.557 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 4' ' ' PHE . 3.1 tm? -58.45 -35.7 72.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.853 -0.612 . . . . 55.11 110.38 -177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 7.43 46.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 75.44 111.379 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 26.0 t70 -100.27 -0.61 38.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.873 0.368 . . . . 60.13 110.744 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 26.2 mm -75.01 115.2 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 72.01 109.791 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 93.4 mttt -86.65 173.38 9.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.854 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.818 ' HG3' ' HB3' ' A' ' 94' ' ' TYR . 0.6 OUTLIER -69.16 -49.19 58.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.631 . . . . 73.13 110.944 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 p -71.0 -32.28 69.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.075 -0.511 . . . . 63.44 111.738 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 75.2 mt-10 -63.72 -47.33 81.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.573 -0.529 . . . . 75.14 109.573 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.717 ' HE1' HG21 ' A' ' 75' ' ' ILE . 46.3 t80 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.028 -0.987 . . . . 73.32 110.226 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 74.52 110.709 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -39.52 94.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.406 -0.361 . . . . 73.41 110.53 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.9 t80 -59.13 -46.96 86.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 73.42 110.604 177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.25 -43.73 93.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.715 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-20 -59.74 -46.06 90.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 61.21 111.322 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.73 -24.05 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 74.45 111.109 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -77.28 -39.13 49.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.915 0.388 . . . . 73.44 110.16 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.75 3.33 64.61 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.807 -0.633 . . . . 74.14 112.897 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 101' ' ' SER . 94.6 mt -86.17 -17.8 33.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 42.23 110.421 176.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -129.17 7.25 5.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.359 . . . . 54.44 111.695 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.23 151.77 49.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.523 -0.308 . . . . 74.21 111.148 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -73.46 168.27 19.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.009 -0.541 . . . . 41.34 110.872 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 67.6 t80 -63.74 -44.41 93.61 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.347 0.499 . . . . 74.41 112.347 -172.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.345 -0.542 . . . . 75.22 111.142 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 m -66.12 -43.07 88.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.55 -0.296 . . . . 73.03 111.044 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG12 HD22 ' A' ' 98' ' ' LEU . 12.7 tt -69.78 -32.89 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 110.05 -0.352 . . . . 42.34 110.05 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 13.5 mtp180 -57.26 -48.96 77.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.457 -0.338 . . . . 73.24 110.844 174.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -55.01 -48.37 73.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.328 -0.397 . . . . 74.52 110.397 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 55' ' ' PHE . 34.6 tp -52.74 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 70.14 111.45 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.4 t30 -57.65 -38.85 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 44.11 110.888 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -60.89 -41.64 96.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.697 -0.683 . . . . 75.43 111.317 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.72 -48.82 65.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 70.52 110.614 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.717 HG21 ' HE1' ' A' ' 52' ' ' TYR . 61.5 mt -63.47 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.705 -0.68 . . . . 73.31 111.037 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.22 -36.01 80.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.807 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.49 -37.99 68.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 75.32 110.553 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.5 85.91 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.35 0.595 . . . . 64.4 110.545 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.61 -31.09 72.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.932 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HA ' HG22 ' A' ' 83' ' ' ILE . 17.8 t70 -62.21 -46.01 90.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 63.24 110.847 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -40.68 88.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.103 0.478 . . . . 73.43 110.346 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.17 -51.23 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 54.4 111.777 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.1 tt -66.44 -32.42 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 75.14 111.582 -174.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -65.79 -14.17 60.87 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.713 0.264 . . . . 65.03 111.713 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -112.5 -33.78 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 74.03 110.569 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.2 6.38 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.182 -0.767 . . . . 64.12 111.182 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 38.9 t80 -71.1 -30.47 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.246 -0.477 . . . . 71.35 110.439 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.05 156.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.767 -0.651 . . . . 53.45 110.413 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.0 mm -79.33 -61.73 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.106 0.479 . . . . 71.4 110.718 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -146.09 134.75 22.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 65.42 110.299 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.02 141.77 71.65 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 71.52 111.003 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.717 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 83.5 Cg_endo -86.56 4.37 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.912 2.408 . . . . 74.15 112.388 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 p -75.82 8.67 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.008 -0.542 . . . . 73.41 112.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.818 ' HB3' ' HG3' ' A' ' 49' ' ' ARG . 91.6 t80 -61.54 -55.96 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.05 0.452 . . . . 75.32 109.821 175.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.86 77.1 4.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.273 0.558 . . . . 61.23 109.963 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.21 33.55 3.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.287 -0.87 . . . . 34.14 110.149 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.6 114.49 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.783 -0.644 . . . . 73.13 110.277 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.508 HD13 ' HG2' ' A' ' 69' ' ' ARG . 76.4 mt -79.39 96.08 5.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.227 -0.442 . . . . 62.15 110.663 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -101.57 90.77 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 73.04 111.0 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.43 93.26 8.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.525 . . . . 44.34 109.793 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 61' ' ' LEU . 24.8 t . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.59 . . . . 70.32 111.409 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tp . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.054 0.455 . . . . 64.43 111.278 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -74.17 147.05 42.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.571 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -60.11 -45.98 91.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.729 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.039 0.447 . . . . 52.03 111.403 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.97 -46.21 88.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.881 -0.6 . . . . 74.24 111.525 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -64.45 -38.43 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 61.31 110.545 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.07 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.772 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.95 -42.46 73.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.868 -0.333 . . . . 64.15 110.402 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.2 tt0 -62.12 -40.06 94.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 74.35 110.163 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 56.7 t90 -58.04 -50.25 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 73.42 110.108 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.47 -42.25 91.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.44 111.094 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.6 tt0 -59.5 -37.1 77.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 75.31 111.483 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' GLN . 28.0 t -90.66 -19.41 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.491 . . . . 74.42 111.228 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -101.84 -60.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -168.029 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.3 mmtt -106.83 -19.97 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.885 0.328 . . . . 73.34 111.885 -169.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 35.0 tp -46.66 -56.0 12.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 113.315 0.858 . . . . 63.01 113.315 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 85.9 Cg_endo -88.66 17.91 1.58 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.82 1.68 . . . . 73.32 113.725 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.1 -31.89 2.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.422 0.527 . . . . 71.14 112.422 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.0 m -91.11 160.06 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.5 . . . . 73.03 111.782 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 13.5 p -87.82 171.33 10.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 54.54 110.306 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.52 -36.81 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.103 0.409 . . . . 74.42 112.103 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -60.27 -51.19 70.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 55.55 110.594 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.715 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 12.4 m -66.58 -37.3 84.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.991 -0.549 . . . . 74.52 110.621 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 9.4 mtpm? -57.31 -51.56 68.87 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.302 -0.408 . . . . 73.43 110.453 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 mtm180 -63.31 -28.83 70.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 74.13 111.629 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -61.24 -52.33 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.901 -0.32 . . . . 73.15 110.294 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -62.67 -45.62 91.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 61.05 111.213 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 46.3 mt-10 -64.06 -42.72 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.637 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 26.3 m -68.17 -37.94 81.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 62.53 110.506 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.2 93.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.148 0.499 . . . . 62.34 109.707 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.22 -32.93 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.223 -0.899 . . . . 75.22 110.915 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 40.8 mmtm -62.92 -47.12 84.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.0 0.429 . . . . 75.21 110.254 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 65.54 110.391 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -67.78 -39.57 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 64.05 110.037 175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.676 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.7 tppt? -59.71 -30.03 68.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.503 -0.772 . . . . 72.44 111.075 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.56 -42.5 16.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 70.22 111.861 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -86.73 -54.79 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.901 0.334 . . . . 72.42 111.901 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.607 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 71.5 m-85 -96.87 58.32 1.61 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.146 0.498 . . . . 75.21 110.442 -175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 85.9 mtt180 -64.82 -57.49 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 73.4 111.353 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -113.04 23.15 13.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.198 0.523 . . . . 70.32 110.47 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.607 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 37.8 tptt -83.98 120.47 26.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.666 -0.697 . . . . 74.55 109.87 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 88.0 mt -70.24 151.89 44.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 70.51 111.033 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.61 -35.74 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.652 . . . . 72.43 110.9 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -81.7 -10.08 59.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.631 . . . . 73.53 111.579 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 4.2 t70 -99.05 7.58 45.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.538 . . . . 71.21 110.646 -172.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -80.02 97.39 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.378 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 9.0 mptt -84.13 160.48 20.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.688 -0.486 . . . . 75.04 109.688 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.956 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 97.8 mtt180 -61.96 -38.81 89.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.109 -0.496 . . . . 73.03 111.16 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -69.19 -40.79 77.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 74.33 111.309 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 5.4 mm-40 -59.6 -48.96 79.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.639 0.733 . . . . 64.24 109.686 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 16.1 t80 -62.99 -39.61 95.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.583 -1.19 . . . . 75.12 110.81 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.94 -42.05 85.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.403 . . . . 72.42 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.05 -37.32 71.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.989 0.424 . . . . 74.23 110.907 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.1 t80 -64.7 -43.5 93.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 63.24 110.403 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HB3' HD11 ' A' ' 68' ' ' ILE . 92.6 mt -68.56 -37.19 79.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 61.23 111.283 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.9 m-20 -55.22 -48.81 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 73.42 110.032 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.8 -40.02 93.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.52 0.676 . . . . 71.12 110.512 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 20.0 t80 -71.62 -36.22 70.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.773 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.88 -7.91 87.37 Favored Glycine 0 CA--C 1.517 0.163 0 C-N-CA 121.386 -0.435 . . . . 61.24 112.575 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.8 mt -90.15 -10.9 42.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 74.31 110.715 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.7 p -119.33 -38.21 3.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.49 . . . . 72.22 112.09 -176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -108.91 170.86 7.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 74.33 111.385 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -84.49 -179.95 7.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.756 -0.656 . . . . 74.31 111.054 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 91.1 t80 -68.36 -47.34 67.69 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 20.1 tt0 -64.91 -36.33 84.03 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.096 -0.642 . . . . 75.13 110.375 -175.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -61.17 -48.32 82.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 73.14 110.755 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 56' ' ' LEU . 12.1 tt -72.74 -34.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 72.22 110.444 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' A' ' 98' ' ' LEU . 31.6 ttt-85 -60.34 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.694 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.586 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 22.3 mtpt -69.83 -36.72 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.913 -0.585 . . . . 75.52 110.844 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD21 ' CE2' ' A' ' 55' ' ' PHE . 27.9 tp -54.34 -53.92 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.089 0.471 . . . . 53.13 110.122 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 8.3 t30 -58.43 -36.91 74.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.27 -0.877 . . . . 63.44 111.033 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -63.92 -47.48 80.39 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.517 -0.31 . . . . 64.21 110.463 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.77 -48.85 78.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.063 0.459 . . . . 72.4 110.21 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.77 -40.89 90.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 71.4 110.447 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 76' ' ' ARG . 20.7 ttp85 -57.49 -48.26 79.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.814 -0.63 . . . . 74.43 110.826 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.39 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 62.34 110.834 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.86 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 32.11 111.168 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.11 -38.53 82.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 72.41 110.708 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.6 t70 -64.39 -37.69 88.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.965 -0.561 . . . . 64.05 110.016 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 14.1 t70 -59.48 -54.39 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 71.12 110.071 173.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -57.54 -50.15 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.524 -0.762 . . . . 53.12 111.574 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.5 tt -65.59 -35.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 60.01 111.114 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -67.09 -29.36 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.293 0.568 . . . . 73.34 110.296 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 29.5 mm-40 -94.66 -1.96 52.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.797 -0.638 . . . . 72.24 110.675 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.63 21.56 63.78 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 63.1 112.4 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.52 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 2.4 t80 -73.68 -50.97 18.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.248 0.547 . . . . 72.54 109.619 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.0 -174.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.534 -0.757 . . . . 73.14 110.398 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 89' ' ' ILE . 10.9 tp -138.01 19.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.036 0.922 . . . . 74.12 108.919 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -94.97 120.73 35.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.149 -0.932 . . . . 75.21 111.13 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -123.1 90.68 50.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 121.099 0.476 . . . . 55.41 110.358 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.956 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 91.6 Cg_endo -87.3 -3.67 7.74 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.816 2.344 . . . . 74.34 112.46 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 p -74.71 -15.11 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.979 0.733 . . . . 72.42 112.979 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.99 -53.8 53.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.827 0.346 . . . . 71.5 111.303 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 95' ' ' LYS . 41.2 tptt -87.58 9.6 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.2 0.524 . . . . 54.54 110.707 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.41 94.6 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.634 -0.712 . . . . 62.33 110.325 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.9 119.38 32.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.408 0.623 . . . . 64.45 109.962 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 69' ' ' ARG . 47.6 mt -81.13 76.27 8.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.462 -0.79 . . . . 75.14 110.734 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -96.73 103.49 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.0 -0.545 . . . . 73.03 110.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.21 10.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 64.35 110.026 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.737 -0.665 . . . . 75.01 110.42 -178.433 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 121.219 0.533 . . . . 73.43 111.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -71.94 147.9 46.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.584 -0.734 . . . . 43.13 110.724 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -59.91 -40.21 88.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.51 110.946 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.21 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 63.44 111.378 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.96 -29.65 68.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.956 -0.566 . . . . 64.43 111.184 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -70.4 -43.19 70.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.587 -0.279 . . . . 74.12 110.351 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.57 -50.59 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 71.21 110.699 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . 50.9 t80 -66.73 -42.06 86.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 65.21 110.745 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.9 tt0 -59.55 -52.77 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 72.32 110.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -54.27 -45.32 72.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.65 -0.704 . . . . 73.13 111.006 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 25.8 t80 -64.34 -50.93 65.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.001 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 11.2 tm-20 -59.23 -34.45 72.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.941 -0.572 . . . . 74.31 110.922 -175.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 10' ' ' GLN . 94.2 t -78.21 -34.93 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.474 -0.33 . . . . 50.4 111.799 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -111.12 -68.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.137 0.791 . . . . 73.3 113.137 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 60.2 mmtt -79.17 -18.51 52.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.647 0.24 . . . . 44.03 111.647 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.725 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 30.5 tp -43.14 -59.64 3.0 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.871 1.063 . . . . 75.1 113.871 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.4 Cg_endo -78.88 -16.67 12.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.008 1.805 . . . . 61.31 113.319 -172.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -92.53 -30.38 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.587 -0.278 . . . . 75.21 111.397 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 34.1 m -79.89 158.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.939 0.4 . . . . 70.42 111.498 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.543 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 6.2 t -77.03 172.77 12.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.624 . . . . 74.3 110.104 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.67 -46.53 85.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 70.13 109.932 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 p -60.96 -46.08 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 31.13 110.732 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 21.1 m -56.92 -39.59 74.75 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.333 -0.394 . . . . 64.5 110.922 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.0 mtpm? -52.95 -54.17 38.89 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.154 0.502 . . . . 74.15 110.398 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 19.8 mmt180 -66.09 -27.03 67.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.131 -0.94 . . . . 75.3 111.215 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -59.14 -43.91 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.893 -0.41 . . . . 64.32 109.893 170.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -66.4 -44.19 83.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 75.11 110.766 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -55.33 -45.49 76.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.933 0.397 . . . . 61.13 111.034 175.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -65.69 -39.45 91.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.644 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.75 73.77 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.063 -0.517 . . . . 74.04 110.096 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 33.4 t80 -55.23 -44.96 75.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 72.34 112.18 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -68.41 -38.93 81.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.942 -0.303 . . . . 64.55 110.984 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -68.95 -40.3 79.02 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.81 0.338 . . . . 74.32 110.556 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.32 -46.66 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.237 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.0 ttmt -60.22 -42.77 95.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 64.11 111.525 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.25 -35.7 81.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 73.23 111.629 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.61 -53.87 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.135 0.493 . . . . 72.55 111.584 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.759 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 69.7 m-85 -96.6 51.22 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 71.21 110.194 -175.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 74.1 mtm-85 -51.23 -45.41 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.399 -0.819 . . . . 73.24 112.625 -173.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -130.65 35.79 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.13 0.49 . . . . 75.1 110.642 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 1.3 tpmt? -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.926 -0.579 . . . . 73.15 109.766 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 79.0 mt -71.71 156.67 39.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.394 -0.366 . . . . 63.24 111.152 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.29 -47.46 75.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.679 -0.691 . . . . 73.22 111.58 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.788 ' HA ' HG23 ' A' ' 88' ' ' VAL . 15.0 pttp -87.17 1.11 54.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.02 -0.536 . . . . 63.04 111.338 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 13.3 t70 -103.82 9.29 37.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.451 0.643 . . . . 72.23 110.403 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 42' ' ' LYS . 50.4 mm -69.18 124.28 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.411 -0.813 . . . . 61.51 110.479 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.971 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 20.4 mtpp -95.16 144.36 25.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.378 -0.601 . . . . 70.31 109.378 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -60.26 -34.84 74.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 62.33 111.774 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -70.43 -40.96 73.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.681 0.277 . . . . 62.3 111.401 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.971 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 3.0 mm-40 -63.04 -41.15 99.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.543 0.687 . . . . 71.05 109.484 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HE1' HD13 ' A' ' 75' ' ' ILE . 69.6 t80 -66.84 -35.86 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.44 110.39 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -61.83 -49.59 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 75.44 110.071 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -67.18 -30.9 70.98 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.805 0.336 . . . . 44.43 110.839 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.93 -47.51 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.011 -0.54 . . . . 73.51 110.195 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 68' ' ' ILE . 94.1 mt -65.31 -35.92 82.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 73.13 110.93 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -64.14 -37.63 88.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.215 -177.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.19 -39.58 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.538 . . . . 75.22 110.451 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 22.4 t80 -66.45 -34.19 77.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 63.21 110.198 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.63 84.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.125 -0.56 . . . . 61.2 112.716 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.1 mt -91.37 -21.53 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 75.31 110.679 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -105.42 -28.68 10.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.948 -0.569 . . . . 52.31 111.851 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -126.4 166.01 17.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.094 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -72.02 163.14 28.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.362 -0.381 . . . . 74.42 110.578 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 83.8 t80 -60.78 -33.86 73.62 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.07 -0.514 . . . . 74.25 111.143 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.03 -38.67 86.31 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.612 -0.435 . . . . 65.33 110.179 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -64.64 -49.87 69.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.792 -0.64 . . . . 53.04 110.609 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.1 tt -65.75 -33.72 65.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.462 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 6.9 ttm180 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.097 0.475 . . . . 73.24 110.174 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -69.69 -37.66 76.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.833 -0.621 . . . . 73.41 111.093 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 tp -52.27 -54.93 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.319 0.581 . . . . 74.23 109.873 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.611 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 14.9 t-20 -57.98 -37.35 74.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.046 -0.979 . . . . 75.42 111.247 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 t -63.02 -42.67 99.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.716 0.293 . . . . 71.14 111.095 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.9 -45.12 90.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.346 0.593 . . . . 74.22 109.875 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.511 HD13 ' HE1' ' A' ' 52' ' ' TYR . 78.2 mt -63.25 -34.71 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.176 -0.92 . . . . 74.44 111.056 -178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 52.5 mtt180 -60.7 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.678 -0.237 . . . . 73.34 110.48 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -68.19 -33.91 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 52.14 110.645 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.71 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 65.04 110.584 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -65.25 -38.54 90.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 74.13 110.908 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' HA ' HG22 ' A' ' 83' ' ' ILE . 8.5 t70 -64.33 -40.38 95.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.094 0.473 . . . . 64.14 110.834 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -43.71 92.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.003 -0.544 . . . . 73.35 109.875 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.54 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 64.12 112.071 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' A' ' 80' ' ' ASP . 14.8 tt -65.86 -31.81 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.758 0.313 . . . . 74.44 110.867 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -64.98 -21.65 66.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.118 0.485 . . . . 64.13 110.167 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.45 -10.17 33.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 75.41 111.052 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.26 21.37 75.76 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 110.992 -0.843 . . . . 55.54 110.992 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -84.42 -24.95 29.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.991 -0.605 . . . . 75.23 109.932 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.788 HG23 ' HA ' ' A' ' 45' ' ' LYS . 9.9 p -134.21 164.03 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.594 -0.73 . . . . 62.23 109.288 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 pt -90.22 -167.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.97 0.414 . . . . 52.54 111.369 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -51.97 144.58 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.196 -0.911 . . . . 72.22 111.303 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 22.0 t-20 -73.8 120.94 83.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.214 -0.903 . . . . 73.05 112.192 -167.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 36.4 Cg_endo -65.84 -15.24 48.21 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.362 2.708 . . . . 62.21 111.905 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -67.84 -4.1 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.718 0.771 . . . . 62.31 110.506 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -54.88 -36.15 64.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.444 -0.798 . . . . 74.52 111.208 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.809 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -106.88 26.63 9.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 62.01 110.185 -176.472 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.89 107.62 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 45.01 111.85 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 50.7 mt-10 -103.09 114.79 29.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 73.13 110.416 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 56' ' ' LEU . 75.5 mt -88.61 93.06 9.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.759 -0.46 . . . . 72.2 109.759 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 97' ' ' GLU . 61.0 m-70 -99.45 82.66 2.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 73.34 110.864 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.28 102.88 15.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 74.33 109.196 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.408 -176.018 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 C--O 1.236 0.388 0 N-CA-C 108.876 -0.786 . . . . 73.12 108.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 p -67.85 143.61 55.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.867 0.365 . . . . 71.43 110.774 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 25.8 t80 -62.6 -36.71 83.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.51 111.088 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.49 -0.323 . . . . 44.42 111.375 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.37 -44.8 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 60.54 110.492 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.68 -43.62 89.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.866 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.89 -49.0 79.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 62.53 111.016 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -65.78 -45.34 82.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.413 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.3 tt0 -59.94 -43.9 94.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 55.01 110.457 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -56.73 -48.26 78.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 70.32 110.74 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.43 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.0 t80 -61.5 -45.81 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.956 176.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.745 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.1 tt0 -61.49 -39.1 89.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 75.42 111.526 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' GLN . 98.6 t -75.53 -22.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.717 0.294 . . . . 72.12 111.565 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 39.6 m-80 -110.97 -73.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.727 0.64 . . . . 71.41 112.727 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 4.1 mptp? -84.94 -13.27 51.25 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.777 0.658 . . . . 74.21 112.777 -167.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.745 HD22 ' HG3' ' A' ' 13' ' ' GLU . 38.7 tp -49.95 -58.34 9.74 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.31 0.856 . . . . 62.23 113.31 -171.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.9 Cg_endo -82.93 18.79 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 121.996 1.797 . . . . 45.23 113.277 -174.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -124.08 -43.05 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.777 0.322 . . . . 73.11 111.154 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.73 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 29.4 m -82.44 147.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.05 0.452 . . . . 62.05 111.606 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 23.9 m -77.48 171.37 15.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 74.12 110.439 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -34.54 69.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.484 -0.325 . . . . 55.14 111.317 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 p -59.0 -45.83 89.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.432 -0.349 . . . . 74.14 110.758 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.73 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 13.4 m -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 74.24 110.502 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 21' ' ' SER . 51.1 mtpt -58.95 -41.49 87.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 75.31 110.718 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 30.2 mmm180 -65.1 -30.06 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 73.42 111.448 -178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -64.87 -45.78 84.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 75.44 110.035 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.28 -41.18 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.978 -0.556 . . . . 63.24 111.229 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 37.0 mt-10 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.095 -0.242 . . . . 73.31 110.658 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.897 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 32.5 t -62.54 -45.78 91.41 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.664 -0.495 . . . . 72.35 109.664 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.69 89.88 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.663 -0.699 . . . . 73.13 110.292 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -58.37 -44.39 88.83 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.779 -0.646 . . . . 75.34 111.175 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.897 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 48.6 mtmt -53.71 -51.6 62.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.863 0.363 . . . . 74.23 111.538 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -66.65 -35.0 79.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.244 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.46 -40.62 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.252 0.549 . . . . 64.11 109.871 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 48.7 tttp -61.84 -26.24 68.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.214 -0.903 . . . . 64.32 110.894 175.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.38 -47.57 13.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.448 -0.342 . . . . 72.42 111.303 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -87.41 -48.33 8.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.691 0.626 . . . . 74.31 112.691 -173.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 75.0 m-85 -107.59 70.49 0.78 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.241 0.543 . . . . 74.24 110.929 -173.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 57.9 mtt180 -81.44 -36.19 29.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.535 -0.757 . . . . 72.42 112.268 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -134.22 17.68 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 64.5 111.115 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.689 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 16.1 ttmm -86.74 118.54 26.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.499 -0.556 . . . . 71.02 109.499 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.66 157.56 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 71.35 111.445 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.1 -31.91 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.375 -0.83 . . . . 65.33 110.653 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -88.4 -9.28 53.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.813 -0.63 . . . . 71.04 111.284 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.3 10.09 39.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.412 0.625 . . . . 65.45 110.357 -172.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.613 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 46.9 mm -77.25 96.53 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.731 -0.668 . . . . 74.31 110.32 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 ttmp? -70.53 129.92 40.5 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.933 -0.766 . . . . 63.45 108.933 175.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 49' ' ' ARG . 14.5 ptt180 -61.88 -26.44 68.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 74.32 110.932 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 31.1 m -65.83 -38.57 89.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.392 -0.367 . . . . 65.33 110.307 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.738 ' HA ' ' HD2' ' A' ' 54' ' ' LYS . 48.7 mt-10 -71.13 -33.84 70.48 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.318 -0.401 . . . . 64.04 110.299 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 93' ' ' THR . 72.6 t80 -67.81 -41.29 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 72.34 110.146 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -62.48 -39.77 94.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 75.34 110.068 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.738 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 59.5 mttm -56.76 -48.65 77.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.204 0.526 . . . . 73.13 110.07 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 71' ' ' LEU . 85.2 t80 -56.03 -46.33 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.098 -0.955 . . . . 74.14 111.024 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.97 -40.87 95.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 74.34 111.671 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.4 m-20 -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.702 0.287 . . . . 54.13 110.823 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.83 -34.17 69.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.995 0.426 . . . . 71.53 110.692 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.6 -38.23 73.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 73.33 110.103 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.43 -5.41 82.2 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.967 -0.56 . . . . 72.44 112.713 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 101' ' ' SER . 87.3 mt -91.1 -14.06 31.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 74.21 110.497 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -120.64 -1.98 9.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.187 -0.461 . . . . 62.31 111.879 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.4 m80 -145.38 164.36 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 64.01 111.174 -174.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.4 m -83.09 176.61 9.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 53.41 111.116 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -59.95 -42.32 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.706 -0.679 . . . . 72.32 111.612 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.94 -43.45 98.63 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.864 -0.334 . . . . 74.34 111.585 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -62.13 -45.56 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 75.32 111.039 -175.244 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.99 -34.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.433 -0.349 . . . . 72.21 110.789 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -61.77 -50.09 73.77 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.024 0.44 . . . . 75.05 110.476 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 43.3 mttt -64.58 -42.63 95.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.559 -0.746 . . . . 71.12 110.604 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 55' ' ' PHE . 33.7 tp -52.65 -57.34 10.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 71.2 110.952 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -57.72 -40.2 79.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 74.03 111.203 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -61.54 -43.71 98.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 73.22 111.396 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.3 m-85 -63.95 -46.27 85.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.463 0.649 . . . . 75.44 109.762 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.5 mt -65.06 -40.25 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.957 -1.019 . . . . 62.14 111.191 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HE ' ' HB ' ' A' ' 93' ' ' THR . 46.2 mtt180 -61.07 -47.72 85.05 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.681 -0.236 . . . . 72.45 111.015 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.16 -37.79 81.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.547 -0.297 . . . . 72.42 111.049 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.87 61.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 61.43 111.273 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.613 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 25.3 m-85 -63.66 -43.26 97.23 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.705 0.288 . . . . 75.54 111.215 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 83' ' ' ILE . 26.3 t70 -61.18 -34.25 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.151 -0.477 . . . . 62.12 111.036 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.599 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 34.5 t70 -73.78 -34.81 64.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.77 0.319 . . . . 71.01 110.536 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -61.59 -38.33 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.318 -0.623 . . . . 73.0 109.318 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' PHE . 84.4 mt -65.49 -32.7 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.571 -0.741 . . . . 71.33 110.978 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.599 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 54.5 m170 -55.14 -52.19 64.05 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.356 -0.384 . . . . 74.15 110.987 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -84.83 -27.41 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.384 -0.371 . . . . 74.02 110.51 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.25 54.88 0.69 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.796 -0.716 . . . . 75.25 112.36 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -89.91 -70.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.981 0.42 . . . . 72.41 110.393 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.89 177.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 64.31 111.471 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.85 -57.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 75.11 110.055 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 4.0 mmtp -163.62 -168.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 71.23 110.013 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -89.86 113.8 58.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.286 -0.416 . . . . 70.44 110.393 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.95 7.55 2.0 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.625 2.883 . . . . 63.11 113.349 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' CE2' ' A' ' 52' ' ' TYR . 76.3 p -91.89 16.47 10.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.021 0.439 . . . . 74.25 110.641 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.7 -51.76 68.57 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.617 -0.72 . . . . 71.44 109.997 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -101.99 81.41 2.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.666 -0.697 . . . . 72.23 109.318 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.88 4.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 51.41 110.856 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -118.77 152.57 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.896 0.379 . . . . 73.12 110.338 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 mt -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 72.22 109.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -86.02 65.61 9.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 64.32 111.014 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.26 102.55 0.86 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 64.52 109.871 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.672 ' HB2' HD23 ' A' ' 61' ' ' LEU . 4.5 m . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 73.22 110.716 -173.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.614 HG22 ' HE2' ' A' ' 87' ' ' TYR . 14.9 tt . . . . . 0 C--O 1.236 0.381 0 N-CA-C 110.199 -0.297 . . . . 61.12 110.199 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 64.2 p -75.22 146.85 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.084 -0.339 . . . . 74.32 110.084 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.51 -36.17 81.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.505 -0.316 . . . . 73.01 111.245 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.25 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 73.13 111.054 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.28 -35.03 79.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 54.1 110.521 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.34 -47.43 86.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 72.33 111.007 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.1 -49.27 78.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 74.53 111.006 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 58.8 t80 -65.58 -41.25 93.1 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.915 -0.314 . . . . 74.24 110.496 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.27 -47.22 85.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 61.31 110.205 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.593 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.9 t90 -55.96 -49.79 72.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 74.53 110.338 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.649 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.9 t80 -61.69 -48.34 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.091 -0.504 . . . . 75.52 111.898 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.751 ' HG3' HD22 ' A' ' 17' ' ' LEU . 45.4 tt0 -60.05 -34.57 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 72.35 111.8 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.04 -25.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.837 0.351 . . . . 73.15 111.536 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.2 m-20 -106.06 -37.87 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.312 0.856 . . . . 65.14 113.312 -167.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.5 mmtt -123.36 -17.26 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.49 0.552 . . . . 73.1 112.49 -171.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 13' ' ' GLU . 25.1 tp -49.37 -58.95 7.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 113.339 0.866 . . . . 63.02 113.339 -171.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 4.2 Cg_endo -83.2 7.52 5.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.171 1.914 . . . . 74.05 112.564 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -109.83 -31.85 7.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 72.22 110.945 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.2 m -92.89 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 52.1 111.389 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.9 p -78.26 166.51 22.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 61.52 110.215 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.56 -34.24 73.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 74.22 110.897 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 p -61.34 -39.84 92.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.22 -0.446 . . . . 74.05 110.605 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.657 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 29.6 m -74.7 -33.63 62.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 75.42 110.266 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.649 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 12.2 mtpp -55.51 -44.54 76.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.209 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -53.71 -45.31 70.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.421 -0.808 . . . . 65.43 111.263 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -58.59 -52.33 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.776 0.322 . . . . 73.15 110.852 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -62.0 -48.88 78.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 73.31 111.56 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.23 -39.35 78.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.352 . . . . 74.34 111.796 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.9 m -64.78 -39.85 94.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.833 0.349 . . . . 73.33 110.184 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.56 -45.51 93.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.624 -0.51 . . . . 72.4 109.624 175.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 46.7 t80 -57.15 -35.22 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.316 -0.857 . . . . 74.25 111.288 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -43.04 95.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.598 0.237 . . . . 71.11 111.131 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -65.02 -35.97 82.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.114 0.483 . . . . 75.41 109.855 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 31' ' ' ALA . 89.6 mt -70.54 -45.12 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.87 -0.605 . . . . 71.32 110.672 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.62 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.947 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -83.17 -36.83 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.605 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -83.7 -57.19 3.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 74.4 111.307 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 93.6 m-85 -89.81 50.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.921 -0.581 . . . . 62.42 111.183 -171.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -62.8 107.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.426 -0.806 . . . . 75.14 110.369 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 3' ' ' THR . 6.4 m170 66.05 13.47 9.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.951 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.753 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 38.7 tttp -86.04 123.57 31.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.611 -0.268 . . . . 64.14 110.296 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 57.6 mt -72.03 151.9 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 71.44 110.274 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 88' ' ' VAL . 2.5 pt? -71.04 -15.54 62.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.299 -0.41 . . . . 71.31 111.229 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.72 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -97.39 11.55 36.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 54.44 112.153 -177.41 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 3.8 p30 -127.67 13.79 6.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.238 0.542 . . . . 70.45 109.97 170.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 39' ' ' PHE . 34.2 mm -74.34 112.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 72.35 109.483 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -82.82 164.96 20.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.745 0.307 . . . . 61.32 110.285 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -68.61 -35.48 77.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.607 -0.516 . . . . 44.5 109.607 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 p -70.64 -38.61 73.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.273 -0.876 . . . . 75.22 111.181 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -64.62 -39.14 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.148 0.499 . . . . 72.24 110.266 175.515 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 93' ' ' THR . 33.3 t80 -69.44 -38.87 78.02 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 74.51 110.393 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.32 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 15.5 ptpt -68.01 -29.34 68.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.003 0.43 . . . . 73.31 110.302 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 71' ' ' LEU . 89.5 t80 -65.16 -44.75 87.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.651 173.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.28 -39.29 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 63.51 110.983 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.72 -38.99 83.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 65.44 111.142 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.61 -41.25 63.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.189 0.519 . . . . 75.21 110.563 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.92 -33.78 76.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.962 -0.563 . . . . 75.31 110.398 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.77 -8.29 84.35 Favored Glycine 0 C--O 1.228 -0.238 0 CA-C-N 116.016 -0.538 . . . . 65.2 112.829 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 101' ' ' SER . 91.1 mt -91.15 -23.29 20.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.078 0.466 . . . . 70.12 110.595 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -104.27 -34.19 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.686 -0.688 . . . . 73.14 112.024 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -121.27 165.24 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.352 . . . . 73.43 111.241 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 p -75.88 173.85 10.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.79 -0.641 . . . . 75.43 111.781 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.86 -47.14 84.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 73.2 111.906 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 9.0 tt0 -61.5 -37.12 82.53 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.384 -0.526 . . . . 62.25 110.279 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 m -66.29 -46.27 77.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 61.14 110.871 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -71.15 -34.19 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 61.24 110.585 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HA ' HD22 ' A' ' 98' ' ' LEU . 63.2 ttt180 -61.39 -44.76 96.6 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.067 0.46 . . . . 74.12 110.212 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 20.7 mtpt -69.65 -36.8 76.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.665 -0.698 . . . . 64.33 110.904 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 55' ' ' PHE . 22.7 tp -53.31 -52.87 57.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.032 0.444 . . . . 75.21 110.666 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -55.16 -41.27 71.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.452 -0.794 . . . . 53.31 110.489 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -63.21 -42.73 99.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.855 -0.611 . . . . 71.22 111.141 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -62.89 -52.94 61.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 73.41 110.417 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.44 -43.98 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.567 -0.742 . . . . 75.2 111.361 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.58 -38.95 89.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.591 -0.277 . . . . 74.21 110.542 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -64.75 -40.5 95.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.98 0.419 . . . . 75.13 110.018 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.48 90.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 52.44 111.221 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.07 -31.77 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.346 . . . . 73.41 111.227 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 18.9 t70 -58.06 -34.67 70.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.464 175.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -76.43 -42.48 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 74.43 110.573 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.77 -44.38 81.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.081 -0.509 . . . . 72.32 110.962 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 tt -74.31 -33.26 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.091 0.472 . . . . 71.2 110.365 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.9 t-80 -63.65 -31.93 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 74.22 109.779 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.36 -48.85 12.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.122 -0.944 . . . . 65.4 109.356 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.2 12.72 11.66 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.069 -1.212 . . . . 75.3 110.069 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.614 ' HE2' HG22 ' A' ' 2' ' ' ILE . 5.4 t80 -69.83 -37.56 76.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.661 -0.77 . . . . 75.14 109.721 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 45' ' ' LYS . 47.1 t -132.83 131.56 59.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.222 -0.899 . . . . 61.11 108.656 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.54 -33.06 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.233 0.457 . . . . 70.13 112.233 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 74.31 110.805 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 14.6 p-10 -94.51 138.88 22.23 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.932 -0.576 . . . . 70.34 111.103 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 36.4 Cg_exo -63.09 -19.66 69.42 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.719 2.946 . . . . 73.52 113.198 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.427 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.3 p -75.05 68.48 1.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.663 0.744 . . . . 52.32 110.557 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.601 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 64.1 t80 -106.9 -45.23 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.073 -0.967 . . . . 63.25 110.76 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -134.72 28.33 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.442 . . . . 74.55 110.786 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.04 134.99 55.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 75.13 111.793 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -116.53 137.04 52.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.486 -0.779 . . . . 72.41 110.528 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 69' ' ' ARG . 70.3 mt -76.45 97.01 4.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.935 -0.765 . . . . 72.1 108.935 171.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -113.78 90.6 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.109 -0.496 . . . . 60.23 110.967 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.07 124.79 50.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.131 -0.486 . . . . 40.52 110.03 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.653 ' HB3' HD23 ' A' ' 61' ' ' LEU . 38.2 t . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 121.231 0.538 . . . . 65.11 109.997 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.616 HG21 ' HD1' ' A' ' 7' ' ' TYR . 14.5 tt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.084 -0.339 . . . . 53.13 110.084 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.6 p -70.47 148.86 47.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.272 -0.27 . . . . 73.44 110.272 177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.488 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 18.8 t80 -60.29 -38.68 84.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 73.03 110.771 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.23 69.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 64.52 111.17 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.38 -33.28 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.6 -0.273 . . . . 62.03 111.111 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.616 ' HD1' HG21 ' A' ' 2' ' ' ILE . 49.5 t80 -63.59 -43.03 98.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.847 -0.427 . . . . 74.31 109.847 177.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.93 -44.82 95.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.613 -0.721 . . . . 73.5 110.294 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -65.11 -47.2 78.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 72.01 110.72 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.21 -51.56 69.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.006 -0.543 . . . . 73.31 110.153 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -52.35 -45.39 65.67 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.217 -0.901 . . . . 71.15 110.952 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.646 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.2 t80 -65.7 -58.07 6.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.915 -0.584 . . . . 72.33 111.693 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.13 -38.17 82.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 75.33 111.933 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.69 -21.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.109 0.411 . . . . 64.41 112.109 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -124.52 -55.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.501 0.926 . . . . 72.21 113.501 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.4 mmtt -80.57 -12.07 59.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.273 0.472 . . . . 63.54 112.273 -167.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 46.1 tp -47.35 -55.41 16.29 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.391 0.885 . . . . 64.53 113.391 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 88.8 Cg_endo -80.99 8.05 4.56 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.79 1.66 . . . . 70.42 113.559 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -119.82 -1.22 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.673 0.273 . . . . 63.32 111.343 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.9 m -113.13 159.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.926 0.394 . . . . 73.21 111.294 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 89.2 p -97.05 177.09 5.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.195 -0.669 . . . . 73.1 109.195 174.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.68 -32.09 73.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.701 -0.481 . . . . 72.34 109.701 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.792 -0.64 . . . . 72.42 109.393 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.788 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 3.1 m -62.64 -40.11 95.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.209 -0.451 . . . . 50.33 110.317 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.646 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 97.6 mttt -56.8 -51.03 70.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.242 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.82 -33.72 70.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.859 -0.61 . . . . 71.01 111.542 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' THR . 20.2 m80 -59.75 -51.44 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 71.54 110.389 172.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.03 -43.77 98.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 72.33 111.252 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.12 -44.06 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 64.11 110.952 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.919 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 50.6 m -62.31 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.43 110.48 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.41 -53.11 61.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 74.32 110.318 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -56.24 -44.71 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.796 . . . . 71.21 111.975 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.919 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 65.1 pttt -71.69 -31.89 67.25 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.08 -0.248 . . . . 74.01 111.589 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 m-70 -75.73 -33.14 60.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.851 0.358 . . . . 74.33 110.491 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.9 mt -63.06 -51.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 63.13 110.69 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 18.7 ptpt -65.42 -27.28 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 74.13 110.792 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 11.7 t70 -58.5 -47.85 82.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.22 -0.445 . . . . 64.4 110.766 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -86.78 -46.61 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.702 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 77.0 m-85 -98.69 67.08 1.7 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.281 0.562 . . . . 74.02 111.56 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.52 115.67 10.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.725 -0.671 . . . . 75.43 110.629 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 m170 61.22 19.11 9.78 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.226 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -93.49 116.27 28.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.116 0.484 . . . . 64.1 111.252 -171.638 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 61.1 mt -60.7 145.7 48.39 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.349 -0.842 . . . . 74.34 109.834 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.852 ' HA ' HD13 ' A' ' 47' ' ' ILE . 2.5 pt? -67.13 -14.64 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 74.52 111.23 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -76.23 -15.58 60.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 74.2 110.68 176.536 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 10.7 t70 -95.19 -5.32 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 75.4 110.078 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.852 HD13 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mp -84.68 103.23 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 71.13 109.661 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HB2' ' OE1' ' A' ' 51' ' ' GLU . 10.4 mtmp? -95.16 150.67 19.95 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.328 -0.619 . . . . 73.42 109.328 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 2.9 ptp180 -56.35 -24.68 45.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.537 0.569 . . . . 70.1 112.537 -174.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 p -70.13 -39.48 75.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.422 -0.354 . . . . 61.42 111.403 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 48' ' ' LYS . 3.6 mp0 -76.2 -32.17 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.191 0.52 . . . . 41.04 109.773 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' CE1' HG21 ' A' ' 75' ' ' ILE . 44.2 t80 -60.54 -40.34 91.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 73.23 110.547 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -63.3 -37.71 88.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 65.13 110.367 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.22 -38.75 92.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.022 0.439 . . . . 73.1 110.292 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HD21 ' A' ' 71' ' ' LEU . 75.3 t80 -62.02 -50.78 70.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.758 -0.655 . . . . 64.14 110.384 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HB3' HD11 ' A' ' 68' ' ' ILE . 87.0 mt -62.35 -33.63 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.566 . . . . 73.23 110.781 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -58.73 -53.45 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 61.43 110.363 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.31 -39.47 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.177 0.513 . . . . 70.51 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -69.63 -38.6 77.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.909 -0.587 . . . . 73.25 110.69 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.21 -12.91 84.16 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.112 -0.495 . . . . 63.2 112.834 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -86.81 -15.98 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.919 0.39 . . . . 73.15 110.484 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -115.03 -20.43 10.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 62.02 112.492 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -123.5 170.57 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.892 0.377 . . . . 62.31 111.539 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -72.26 164.77 25.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.65 -0.705 . . . . 60.44 110.831 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.82 -46.69 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 54.14 111.373 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 25.6 tt0 -69.55 -28.21 65.8 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.711 -0.396 . . . . 63.42 110.699 -176.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -63.41 -48.86 76.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.584 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.4 tt -73.68 -34.56 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.99 0.424 . . . . 65.32 110.411 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' HD13 ' A' ' 98' ' ' LEU . 63.2 ttt180 -57.76 -49.63 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.538 . . . . 74.32 110.736 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.5 ttmt -69.87 -35.9 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.786 -0.643 . . . . 72.35 110.105 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.4 tp -55.78 -52.56 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.846 -0.616 . . . . 75.4 110.666 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -56.12 -39.68 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 73.51 110.784 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 t -62.45 -42.61 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 60.55 110.454 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 22.6 m-85 -59.56 -54.04 51.11 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.214 0.53 . . . . 74.13 110.443 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.488 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.2 mt -63.88 -43.43 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 55.34 111.753 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.794 ' HB3' HG21 ' A' ' 93' ' ' THR . 3.8 ptm180 -63.92 -36.98 85.72 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.763 -0.375 . . . . 75.24 110.511 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.35 -31.5 63.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.41 110.385 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.72 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.518 . . . . 60.23 110.347 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.45 -30.81 62.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 75.53 110.8 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.564 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.1 t70 -60.14 -33.06 71.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.394 0.616 . . . . 75.32 109.498 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.5 -48.34 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.359 -0.837 . . . . 72.43 110.059 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -65.56 -38.56 89.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 71.32 112.107 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.0 tt -73.47 -33.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 71.11 110.932 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -61.88 -28.88 69.82 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.426 0.631 . . . . 75.21 109.609 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.67 -48.46 7.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.079 -0.964 . . . . 52.53 109.868 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.96 37.93 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.417 -1.073 . . . . 73.22 110.417 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -86.19 -46.55 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.973 -0.613 . . . . 75.41 111.433 -173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.718 HG11 ' HG ' ' A' ' 44' ' ' LEU . 17.9 m -135.86 -158.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 70.22 110.64 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.57 168.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.559 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -56.91 -67.6 0.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.688 -0.687 . . . . 71.52 111.588 -175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.68 139.41 1.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.527 -0.306 . . . . 71.41 110.412 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.628 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 87.3 Cg_endo -79.39 -16.27 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.709 2.273 . . . . 75.21 112.764 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.794 HG21 ' HB3' ' A' ' 76' ' ' ARG . 69.9 p -77.21 0.21 22.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 64.51 110.791 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.37 -35.67 76.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 72.41 111.157 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 71.3 mmtt -120.12 28.89 7.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.453 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.37 153.74 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.086 0.469 . . . . 75.41 111.37 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' CD ' ' HD1' ' A' ' 99' ' ' HIS . 43.0 tt0 -145.38 144.28 30.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.48 -0.782 . . . . 72.55 109.792 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 69' ' ' ARG . 79.0 mt -104.54 36.55 2.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 74.3 112.082 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.423 ' HD1' ' CD ' ' A' ' 97' ' ' GLU . 1.5 m80 -77.91 92.2 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.647 -0.421 . . . . 73.44 110.985 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.68 110.55 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.779 -0.646 . . . . 31.5 110.041 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 61' ' ' LEU . 24.5 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 120.933 0.397 . . . . 63.33 111.35 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.529 HG22 ' OH ' ' A' ' 87' ' ' TYR . 11.0 tp . . . . . 0 C--O 1.237 0.396 0 CA-C-O 121.155 0.503 . . . . 74.33 110.189 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -76.45 150.82 36.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.747 -0.661 . . . . 61.25 111.031 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HD1' HD12 ' A' ' 44' ' ' LEU . 17.8 t80 -58.09 -46.87 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 70.02 111.355 -175.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.95 74.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.973 0.416 . . . . 31.31 111.212 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.09 -44.99 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 61.13 110.951 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HD1' HG21 ' A' ' 2' ' ' ILE . 63.9 t80 -61.8 -47.22 86.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.46 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.63 -52.78 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 72.1 111.609 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -71.79 -38.55 70.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 72.12 111.183 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -63.71 -44.39 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.126 0.489 . . . . 73.45 110.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -52.71 -45.11 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.377 -0.829 . . . . 73.13 110.143 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.572 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 17.6 t80 -66.24 -49.11 68.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.431 -0.804 . . . . 74.55 111.229 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.882 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.8 tt0 -57.2 -47.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 73.22 111.934 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.85 -28.33 42.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.534 -0.303 . . . . 74.13 111.582 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 16' ' ' LYS . 48.5 m-80 -111.52 -67.22 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.785 0.661 . . . . 63.31 112.785 -169.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.0 mptp? -88.57 -26.08 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.367 0.506 . . . . 61.34 112.367 -169.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' HG3' ' A' ' 13' ' ' GLU . 15.3 tp -42.75 -59.51 2.91 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 114.05 1.13 . . . . 73.32 114.05 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 14.7 Cg_endo -87.83 15.02 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.129 1.886 . . . . 64.1 113.303 -171.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -124.39 0.95 8.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.955 0.407 . . . . 74.44 110.717 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 14.1 m -121.48 153.3 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.113 -0.494 . . . . 73.25 110.451 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -93.77 178.22 5.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 62.32 110.073 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.4 mm-40 -49.66 -37.59 29.05 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.269 0.355 . . . . 73.02 111.411 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -50.73 -50.32 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 54.12 111.31 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.651 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 4.1 m -78.24 -33.47 49.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.223 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.6 mtpm? -63.17 -41.04 99.17 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.973 -0.558 . . . . 54.4 111.437 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.8 mtt180 -54.06 -37.76 64.53 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.112 0.258 . . . . 75.24 111.255 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -72.48 -44.94 61.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.358 -0.383 . . . . 71.14 110.508 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.27 -44.47 87.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.607 -0.27 . . . . 74.22 111.584 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.25 -42.68 99.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.86 0.362 . . . . 63.05 110.278 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 11.2 t -68.42 -36.6 79.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 70.41 110.185 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.17 68.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 73.15 110.162 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.488 -0.778 . . . . 75.31 111.721 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 22.3 ptmt -64.31 -38.7 91.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.597 -0.441 . . . . 54.53 111.173 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HD2' ' O ' ' A' ' 30' ' ' SER . 82.1 m-70 -73.53 -39.44 64.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.958 -0.297 . . . . 64.32 110.723 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.18 -49.46 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 CA-C-O 120.757 0.313 . . . . 71.11 110.227 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 25.1 ttmt -59.83 -29.56 68.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 74.34 111.213 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.32 -44.86 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.044 -0.525 . . . . 74.24 111.502 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -88.0 -42.59 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 74.51 111.575 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -114.25 90.26 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.373 0.606 . . . . 44.32 109.66 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 38.3 mtp85 -91.76 -50.25 5.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.389 -0.823 . . . . 73.25 111.109 -171.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -120.2 14.07 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 73.23 110.839 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -78.05 132.1 37.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 74.3 109.433 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 77.9 mt -71.61 162.36 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 74.11 110.386 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.486 HD12 ' HD1' ' A' ' 4' ' ' PHE . 40.6 tp -61.02 -52.89 63.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.27 0.557 . . . . 72.11 110.92 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -74.24 -7.25 52.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 74.33 110.945 -178.621 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.813 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.8 t70 -99.22 12.55 35.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 63.02 110.596 -169.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.7 mm -83.08 112.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 71.33 110.209 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -75.18 129.52 37.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 60.34 110.511 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -53.39 -31.27 44.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.405 -0.816 . . . . 64.21 111.758 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 4.1 p -70.37 -43.77 69.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 74.04 111.078 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.639 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 26.2 mm-40 -66.91 -33.89 76.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.276 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -62.9 -34.82 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.621 -0.718 . . . . 75.24 110.281 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 50' ' ' THR . 53.9 tp60 -55.91 -45.02 78.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.572 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.26 -46.2 81.44 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.625 -0.261 . . . . 75.2 110.628 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 71' ' ' LEU . 72.4 t80 -54.47 -39.6 67.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 70.55 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD12 ' HB1' ' A' ' 96' ' ' ALA . 73.8 mt -74.07 -43.76 56.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.099 -0.5 . . . . 62.55 111.766 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 p30 -73.08 -24.83 60.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.426 -0.51 . . . . 74.54 111.557 -176.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.04 -35.36 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.411 0.624 . . . . 63.22 109.64 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.21 -36.16 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.613 -0.722 . . . . 75.44 110.549 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.33 -3.54 77.2 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.995 -0.548 . . . . 71.52 113.678 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 94.1 mt -90.17 -34.34 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.02 0.438 . . . . 74.41 110.112 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -90.99 -38.46 12.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.363 0.601 . . . . 71.1 111.108 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -115.26 143.76 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 72.52 109.648 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 t -77.46 -178.98 5.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 61.43 111.351 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.491 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.9 t80 -57.57 -41.37 80.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.471 -0.786 . . . . 75.34 111.917 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.49 -45.19 92.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.889 0.376 . . . . 70.15 111.242 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -72.36 -41.82 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.408 -177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.0 tt -67.0 -33.98 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 110.068 -0.345 . . . . 53.42 110.068 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -60.07 -46.4 89.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.008 0.433 . . . . 72.41 110.069 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -58.26 -50.31 74.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 61.41 110.472 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 55' ' ' PHE . 47.1 tp -52.41 -53.29 47.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 74.14 111.066 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.81 -38.32 84.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 60.53 110.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.41 111.089 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -65.31 -48.5 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 71.54 110.011 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.81 -48.18 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 75.34 111.082 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 76' ' ' ARG . 22.3 ttt180 -66.5 -33.45 75.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.273 -0.421 . . . . 42.34 110.973 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -40.04 76.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.248 -0.279 . . . . 44.15 110.248 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.64 97.09 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 64.51 110.689 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.19 -36.62 82.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.42 111.033 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 24.2 t70 -62.29 -41.85 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.668 -0.242 . . . . 64.34 110.63 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 53.15 110.494 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.54 -48.56 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 71.24 111.296 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 80' ' ' ASP . 15.0 tt -65.69 -31.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 74.23 110.239 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.3 t-80 -59.03 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.443 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.93 -16.14 25.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.861 -0.609 . . . . 73.32 110.555 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.01 11.91 58.26 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.986 -0.626 . . . . 34.21 111.809 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.529 ' OH ' HG22 ' A' ' 2' ' ' ILE . 22.8 t80 -71.61 -36.78 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 74.24 111.302 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' A' ' 45' ' ' LYS . 27.7 m -115.65 145.8 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.762 0.315 . . . . 75.04 110.371 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.2 tp -79.39 -50.69 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 63.13 111.429 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.29 159.09 42.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.769 -0.456 . . . . 74.24 109.769 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.11 143.54 26.3 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 53.42 110.875 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.71 -17.26 37.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.898 2.399 . . . . 61.0 112.594 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -75.39 76.08 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.432 0.634 . . . . 73.33 110.084 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -143.48 -62.44 0.4 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 70.32 109.934 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -96.15 25.23 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.772 0.796 . . . . 75.23 109.555 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.537 ' HB1' HD12 ' A' ' 56' ' ' LEU . . . -135.75 145.09 46.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.047 -0.979 . . . . 72.02 110.163 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 99' ' ' HIS . 8.9 pt-20 -135.58 170.27 16.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.32 -177.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.38 70.22 7.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.235 0.541 . . . . 44.42 109.865 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 97' ' ' GLU . 7.9 t60 -93.55 65.78 3.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.746 -0.661 . . . . 62.42 110.266 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.5 168.73 19.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 32.41 109.925 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.319 -0.721 0 C-N-CA 120.929 -0.309 . . . . 72.12 111.061 179.341 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.016 0.436 . . . . 72.42 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' HB2' ' A' ' 41' ' ' HIS . 0.8 OUTLIER -70.52 141.31 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.842 -0.617 . . . . 62.33 110.857 176.16 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -59.85 -41.51 91.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.45 111.766 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.07 73.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.147 0.499 . . . . 62.43 110.83 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.6 -38.91 81.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.6 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -59.82 -46.53 88.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.837 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -58.91 -49.23 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.912 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 74.25 110.554 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.33 -47.59 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 73.45 110.418 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -53.96 -41.3 67.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 74.22 110.092 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.498 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 31.3 t80 -65.15 -57.95 7.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.942 -0.572 . . . . 73.25 110.707 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.54 -41.87 63.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.561 0.538 . . . . 53.15 112.24 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.72 -36.19 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.581 -0.282 . . . . 54.41 111.512 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.825 0.345 . . . . 62.54 111.594 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 107.25 16.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.34 -0.615 . . . . 53.32 109.34 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.923 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 27.4 tp -151.4 -61.95 0.02 OUTLIER Pre-proline 0 C--N 1.315 -0.891 0 C-N-CA 120.128 -0.629 . . . . 63.25 111.047 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.923 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.2 Cg_endo -85.13 -3.78 9.58 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.904 1.736 . . . . 73.42 111.426 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -104.22 -1.16 27.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.773 -0.649 . . . . 50.13 111.327 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.98 165.63 21.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.503 -0.317 . . . . 73.33 110.787 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -90.82 166.09 13.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.138 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.5 pt-20 -61.06 -29.21 69.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.622 -0.263 . . . . 71.22 110.635 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 p -60.59 -43.42 97.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.198 0.523 . . . . 73.33 110.194 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -64.2 -37.41 87.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.41 110.152 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 7.5 mtpm? -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.078 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 79.7 mtt180 -58.99 -37.86 77.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 73.21 111.041 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -60.92 -54.02 50.12 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.918 0.39 . . . . 73.31 110.881 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -62.67 -40.64 97.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.645 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.92 -36.35 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.455 0.169 . . . . 71.13 111.163 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.645 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 66.8 m -65.58 -39.06 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.412 . . . . 62.14 109.925 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.81 -51.22 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.639 . . . . 55.13 110.024 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.31 -44.1 79.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.166 -0.925 . . . . 75.3 112.166 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 63.8 pttt -69.99 -32.25 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.838 -0.345 . . . . 74.3 111.147 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -75.92 -32.6 59.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.881 0.372 . . . . 74.34 110.393 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.1 mt -63.06 -47.15 94.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.515 -0.55 . . . . 70.13 109.515 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.3 ttmt -64.06 -28.06 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 70.52 110.639 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.98 -42.95 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.874 -0.603 . . . . 75.23 111.178 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -87.32 -48.38 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 74.02 111.22 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -114.66 82.35 1.71 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.459 -0.571 . . . . 73.52 109.459 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 24.7 mtm180 -59.43 -39.6 84.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.807 -173.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.6 OUTLIER -156.24 57.76 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.876 0.846 . . . . 61.22 110.306 174.004 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -89.79 142.59 27.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 72.31 108.6 177.097 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 90.5 mt -68.71 160.46 30.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.661 0.267 . . . . 64.12 110.862 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.8 -43.04 90.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 42.03 111.455 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -93.6 14.58 18.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.084 0.469 . . . . 74.43 110.435 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t0 -106.99 6.36 29.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.618 0.723 . . . . 65.42 109.962 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 ' HG2' ' A' ' 42' ' ' LYS . 27.0 mm -92.97 109.89 22.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.334 -0.848 . . . . 73.41 110.156 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.928 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 88.8 mttt -74.77 149.97 39.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 72.53 110.537 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 12.3 ptt180 -66.71 -33.83 76.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 74.23 110.545 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 12.7 p -70.88 -33.82 70.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 53.21 111.404 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.928 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 10.1 mm-40 -68.7 -37.3 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.406 0.622 . . . . 75.12 109.42 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.45 -35.7 80.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 70.45 110.33 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -60.81 -44.09 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 71.41 110.371 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' THR . 50.3 mttm -64.44 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.238 0.542 . . . . 72.01 110.276 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CE2' HD21 ' A' ' 71' ' ' LEU . 77.9 t80 -63.44 -49.12 74.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.413 -0.812 . . . . 63.41 110.551 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.91 -39.83 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 72.13 110.872 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 14.8 t-20 -57.51 -50.06 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 73.44 110.59 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.28 -39.43 86.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.074 -0.512 . . . . 63.52 111.156 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -66.65 -35.11 79.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 65.13 110.544 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.72 -12.0 84.85 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.077 -0.583 . . . . 33.42 112.61 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 91.4 mt -90.48 -14.59 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.893 0.378 . . . . 61.44 110.485 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -114.4 -25.33 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.516 . . . . 43.31 112.257 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.42 159.88 33.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 62.43 110.805 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.7 m -67.76 165.97 16.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 33.33 111.943 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.37 -43.65 92.85 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.529 -0.759 . . . . 74.13 111.992 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 16.9 mt-10 -70.25 -28.29 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.2 -0.6 . . . . 75.34 111.243 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -66.99 -48.29 68.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.325 -0.398 . . . . 73.42 110.227 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 100' ' ' ALA . 9.6 tt -71.38 -34.65 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.566 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -64.37 -44.2 92.13 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.142 -0.318 . . . . 62.43 110.142 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -61.5 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.505 -0.554 . . . . 54.21 109.505 177.238 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 55' ' ' PHE . 28.2 tp -52.82 -54.82 28.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.658 -0.701 . . . . 65.33 111.061 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 63.9 t30 -56.24 -40.16 73.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.471 -0.786 . . . . 52.23 110.489 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 m -63.34 -40.97 98.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.87 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -64.67 -49.1 72.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.95 0.405 . . . . 75.41 110.803 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.71 -40.41 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.619 . . . . 63.02 111.204 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HA ' HG21 ' A' ' 93' ' ' THR . 19.6 mtp180 -62.42 -44.24 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.254 -0.276 . . . . 64.31 110.254 175.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.72 -35.17 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 62.42 110.587 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.76 15.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 53.43 111.458 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -66.64 -34.06 77.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.63 -0.259 . . . . 71.42 111.37 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 83' ' ' ILE . 26.4 t70 -64.81 -37.33 87.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 65.41 109.841 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.666 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 27.9 t0 -71.03 -34.22 71.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.454 . . . . 73.24 110.304 177.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -66.41 -43.89 84.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 74.12 110.876 176.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -65.59 -28.66 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 71.52 110.797 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.666 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 40.0 m170 -54.12 -34.51 60.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.137 0.494 . . . . 63.21 110.019 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -94.04 -15.63 24.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.802 -0.635 . . . . 64.41 111.019 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 19.44 60.5 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.952 -0.859 . . . . 50.13 110.952 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -61.82 -37.85 85.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.496 . . . . 72.33 109.99 -178.124 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.52 162.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 74.04 110.789 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 ' HG3' ' A' ' 90' ' ' LYS . 7.8 tp -139.8 141.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.803 -0.814 . . . . 62.23 108.803 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.488 ' HG3' HG13 ' A' ' 89' ' ' ILE . 59.2 mttp 58.82 44.89 16.22 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.284 0.564 . . . . 71.34 109.79 -175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.0 148.68 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.074 -0.967 . . . . 73.13 111.862 -175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 18.5 Cg_endo -59.09 -25.73 79.01 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.401 2.734 . . . . 75.33 113.508 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 76' ' ' ARG . 23.3 p -79.46 6.16 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.473 . . . . 73.04 111.305 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.97 -44.44 94.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.761 . . . . 75.23 110.262 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -131.17 98.22 4.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 73.33 110.17 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.46 47.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 74.23 110.728 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.29 153.75 50.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 109.917 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -99.04 96.13 7.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 71.11 111.033 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -95.65 80.74 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.015 -0.539 . . . . 64.2 109.928 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 68' ' ' ILE . . . -108.04 108.99 20.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 72.21 110.718 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 121.28 0.562 . . . . 71.45 109.878 177.158 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.8 tt . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.599 0.238 . . . . 72.31 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 34.1 p -63.47 142.69 58.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.486 -0.324 . . . . 74.43 110.461 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.56 -43.13 97.62 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.099 0.249 . . . . 72.44 111.642 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -56.19 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.301 . . . . 35.5 111.213 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 34.7 t70 -63.37 -34.61 78.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.991 -0.549 . . . . 72.4 110.55 -177.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 2' ' ' ILE . 82.2 t80 -64.9 -44.42 89.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.952 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -58.7 -49.02 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 73.34 111.021 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.31 -38.31 74.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 60.23 110.198 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.8 tp60 -59.63 -48.88 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.558 -0.534 . . . . 74.22 109.558 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.79 -43.82 81.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.188 -0.914 . . . . 72.1 110.846 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.506 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 29.3 t80 -60.66 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.554 . . . . 72.12 111.022 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.602 ' HG2' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.69 -45.15 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 72.32 110.55 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.01 -32.17 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.012 -0.54 . . . . 74.24 111.62 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 28.5 m-80 -108.39 -73.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.388 0.884 . . . . 70.23 113.388 -168.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 66.5 mmtt -83.72 -14.56 51.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.663 0.616 . . . . 72.14 112.663 -166.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 13' ' ' GLU . 23.9 tp -51.21 -53.29 50.45 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 112.782 0.66 . . . . 71.11 112.782 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 74.1 Cg_endo -76.35 7.49 3.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.155 1.903 . . . . 70.31 113.88 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -117.02 -45.89 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.939 0.399 . . . . 65.12 111.245 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.833 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.3 m -80.25 143.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 71.55 112.193 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 m -80.54 173.75 12.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 22.22 109.882 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.77 -28.94 66.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.861 0.362 . . . . 62.42 110.998 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -62.83 -46.71 86.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.148 -0.478 . . . . 22.54 110.815 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.833 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 50.1 m -75.01 -29.12 60.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 73.52 110.387 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 7.8 mtpm? -56.68 -45.43 81.76 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.773 -0.455 . . . . 72.51 109.773 173.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -55.75 -32.93 63.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.808 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -64.13 -54.02 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 72.3 110.315 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -65.23 -45.04 86.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 63.21 111.673 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 79.3 mm-40 -56.81 -52.84 63.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.118 0.261 . . . . 72.53 110.647 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -61.23 -40.6 94.61 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.275 -0.42 . . . . 60.14 110.598 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.46 -46.4 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.832 -0.622 . . . . 52.43 110.617 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -58.03 -39.73 79.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.595 . . . . 74.42 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 41.1 mtpt -65.25 -39.1 92.21 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.605 -0.27 . . . . 73.32 110.737 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 66.0 m-70 -72.22 -36.29 69.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.46 -0.496 . . . . 72.21 110.442 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 31' ' ' ALA . 69.5 mt -64.89 -50.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 61.32 110.774 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 21.9 pttp -64.39 -25.09 67.87 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.275 0.559 . . . . 62.31 110.599 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 24.7 t70 -65.68 -48.16 72.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.503 -0.771 . . . . 73.54 111.404 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -87.93 -43.32 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 61.33 111.433 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 57.6 m-85 -110.32 96.99 6.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.853 -0.612 . . . . 71.45 109.423 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 51.2 mtm180 -97.65 -63.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 55.11 110.503 -174.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -113.39 21.52 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.719 0.771 . . . . 74.44 109.429 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.846 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 18.8 ttmm -87.2 119.04 27.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.875 -1.057 . . . . 61.32 109.54 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 66.9 mt -69.81 170.52 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.749 -0.659 . . . . 73.44 111.381 -175.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -37.02 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 74.11 111.145 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -97.39 8.11 45.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 74.05 110.851 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 42' ' ' LYS . 9.8 t70 -95.42 0.81 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.694 -0.854 . . . . 64.13 108.694 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 42' ' ' LYS . 33.5 mm -82.1 106.58 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.809 -1.087 . . . . 53.45 110.029 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.786 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 3.7 mptp? -79.78 142.35 35.43 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.709 -0.849 . . . . 74.04 108.709 173.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -56.59 -32.02 64.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.869 0.366 . . . . 64.32 110.72 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -37.18 73.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.034 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.786 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 8.4 mm-40 -64.71 -41.74 95.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.466 0.65 . . . . 65.43 109.738 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.758 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 51.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 51.4 110.478 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.87 -43.15 98.79 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.263 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -60.07 -46.5 89.37 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.364 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.639 ' CE2' HD21 ' A' ' 71' ' ' LEU . 66.3 t80 -56.54 -43.45 79.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.488 -0.778 . . . . 74.21 110.864 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 90.5 mt -67.95 -44.43 76.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.12 -0.491 . . . . 73.24 111.075 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-20 -62.63 -38.37 89.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.488 -0.324 . . . . 72.13 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -68.63 -42.63 77.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 72.35 110.26 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -68.74 -32.81 72.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 63.03 110.225 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.45 6.67 60.16 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.899 -0.591 . . . . 51.52 112.641 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -91.3 -30.89 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 63.11 110.026 171.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -104.64 -22.09 13.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.76 -0.654 . . . . 74.44 111.825 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -126.21 157.21 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.322 -0.399 . . . . 74.44 110.236 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.7 t -84.86 -178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 70.13 110.468 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.02 -32.7 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.859 -0.61 . . . . 71.34 112.284 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 8.1 tt0 -71.65 -46.74 58.07 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.239 -0.584 . . . . 64.13 110.836 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -66.06 -39.48 90.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.534 0.207 . . . . 62.33 111.223 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -67.01 -33.48 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.631 -0.507 . . . . 71.42 109.631 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.8 -39.94 94.42 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.157 -0.474 . . . . 62.52 110.376 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -59.52 -50.0 75.61 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.975 -0.379 . . . . 74.4 109.975 174.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 55' ' ' PHE . 51.9 tp -54.5 -50.55 67.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 74.35 110.441 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' A' ' 98' ' ' LEU . 34.8 t30 -50.71 -46.91 59.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.265 -0.88 . . . . 62.44 110.989 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -59.33 -44.93 92.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 63.44 111.073 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.5 -44.34 87.33 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.044 0.449 . . . . 75.33 110.078 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.583 HD13 ' HE1' ' A' ' 52' ' ' TYR . 84.3 mt -63.87 -42.94 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 62.52 111.319 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.755 ' HG2' HG21 ' A' ' 93' ' ' THR . 60.9 mtt180 -64.88 -40.38 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.065 -0.254 . . . . 63.23 110.683 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.55 -35.51 81.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 72.33 110.243 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -48.17 68.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.077 -0.511 . . . . 75.33 111.208 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -65.24 -40.5 94.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.534 -0.303 . . . . 72.11 110.944 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.544 ' HA ' HG22 ' A' ' 83' ' ' ILE . 32.8 t70 -62.75 -34.84 78.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 62.21 110.884 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -45.71 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.278 0.561 . . . . 65.44 110.002 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.84 -47.34 69.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.516 -0.765 . . . . 75.5 111.564 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.544 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.6 tt -64.0 -32.27 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.624 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -61.53 -31.55 71.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 74.14 110.256 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.65 1.73 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 74.11 110.779 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.06 24.25 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.079 -0.582 . . . . 71.55 112.462 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.619 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 1.1 t80 -69.34 -55.45 10.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.515 -0.55 . . . . 72.14 109.515 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.71 150.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.758 -0.655 . . . . 62.21 109.446 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.752 HG12 ' HG3' ' A' ' 90' ' ' LYS . 7.2 tt -67.69 -60.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.532 0.206 . . . . 71.01 111.294 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.752 ' HG3' HG12 ' A' ' 89' ' ' ILE . 41.5 mtpt -141.27 168.49 19.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.364 -0.606 . . . . 74.21 109.364 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 75.1 m-20 -86.77 126.27 64.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.876 0.369 . . . . 73.41 111.568 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 14.5 Cg_exo -70.43 -4.56 14.73 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.353 2.702 . . . . 74.41 111.084 172.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.755 HG21 ' HG2' ' A' ' 76' ' ' ARG . 1.8 m -73.39 8.55 1.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.355 -0.839 . . . . 54.14 111.008 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.25 -36.82 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 73.11 110.631 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -96.51 25.38 5.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 65.24 110.473 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.758 ' HB2' ' HE2' ' A' ' 52' ' ' TYR . . . -84.96 74.83 10.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 75.4 111.065 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.37 -16.51 45.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.948 -0.569 . . . . 74.13 110.831 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 72' ' ' ASN . 83.9 mt 59.73 79.31 0.24 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.462 -0.79 . . . . 72.34 110.92 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.93 102.37 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.878 0.37 . . . . 75.02 110.535 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.14 84.86 7.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.498 -0.556 . . . . 61.34 109.498 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.56 ' HB2' HD23 ' A' ' 61' ' ' LEU . 19.6 m . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.492 -0.776 . . . . 53.15 111.84 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.42 HG22 ' OH ' ' A' ' 87' ' ' TYR . 20.7 tt . . . . . 0 C--O 1.243 0.73 0 CA-C-O 121.516 0.674 . . . . 55.41 111.239 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.563 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.0 p -81.77 161.31 23.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 73.25 110.224 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -62.61 -40.9 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.738 -0.21 . . . . 73.43 111.117 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' HE1' ' A' ' 32' ' ' TYR . . . -61.88 -48.68 79.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.987 0.422 . . . . 62.25 110.598 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.37 -38.48 87.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 61.04 110.364 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -64.65 -52.41 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 75.32 111.245 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.61 -46.13 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.164 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 52.6 t80 -67.06 -45.57 76.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.068 -0.515 . . . . 75.51 110.75 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.88 -47.71 85.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.414 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CZ2' ' HE3' ' A' ' 16' ' ' LYS . 56.7 t90 -54.47 -45.23 73.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 71.24 110.882 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 45.0 t80 -65.55 -50.46 65.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 73.33 111.081 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.3 -36.45 63.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 73.52 112.439 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.84 -31.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.589 -0.278 . . . . 74.41 111.711 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 46.7 m-80 -101.78 -77.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.713 0.634 . . . . 73.24 112.713 -170.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -79.43 -15.78 57.24 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.595 0.591 . . . . 61.53 112.595 -167.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.3 tp -49.51 -55.23 23.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.084 0.772 . . . . 63.13 113.084 -174.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 78.2 Cg_endo -81.17 10.39 3.44 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.936 1.757 . . . . 65.44 113.747 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -120.22 -39.73 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.817 -0.353 . . . . 72.32 111.581 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.4 m -83.83 157.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 72.02 111.491 -176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -87.12 169.41 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.629 -0.714 . . . . 55.11 110.293 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 36.5 mt-10 -64.31 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.058 -0.257 . . . . 71.34 111.367 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -42.66 97.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.948 -0.39 . . . . 61.43 109.948 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.509 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -72.06 -33.16 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 54.4 110.476 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 8.5 mtpm? -59.1 -36.2 74.73 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.021 -0.536 . . . . 73.12 110.482 177.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.5 mtt180 -58.48 -42.34 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.538 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -67.8 -48.72 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.753 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.57 -41.82 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 62.2 111.693 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.256 -0.178 . . . . 75.31 111.255 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 33.7 t -65.51 -43.46 90.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.179 -0.674 . . . . 71.34 109.179 174.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.31 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 64.25 110.126 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 54.7 t80 -64.75 -41.11 96.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.415 -0.812 . . . . 75.14 112.304 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 19.5 ptmt -63.95 -37.36 87.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.474 -0.49 . . . . 65.43 110.747 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -73.54 -36.24 65.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.697 0.284 . . . . 74.13 110.691 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.5 -46.78 95.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.368 -0.378 . . . . 50.22 110.405 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.94 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 74.41 110.759 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -41.03 35.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.512 . . . . 72.33 111.305 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -83.62 -43.66 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.11 111.448 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -114.99 86.13 2.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.363 0.601 . . . . 63.45 109.932 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -82.26 -40.01 22.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.553 -0.749 . . . . 64.33 111.019 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 22.75 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.299 0.571 . . . . 75.22 110.193 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.545 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 21.6 tptt -77.91 128.11 33.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.262 -0.881 . . . . 64.21 110.329 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 93.7 mt -68.53 161.14 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.207 -0.294 . . . . 74.55 110.207 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.12 -30.91 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.397 . . . . 64.25 110.533 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -84.72 -4.84 59.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 61.24 111.483 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 13.3 t70 -102.3 9.92 39.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.324 0.583 . . . . 75.13 110.256 -176.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 ' HG2' ' A' ' 42' ' ' LYS . 28.3 mm -93.72 96.04 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.887 -0.597 . . . . 63.04 109.473 175.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -79.56 150.49 31.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.07 -0.514 . . . . 71.34 110.299 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 4.5 ptp180 -62.98 -33.93 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 70.25 110.897 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 p -68.18 -44.43 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.067 -0.515 . . . . 74.35 110.68 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.7 -37.32 86.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.772 -0.649 . . . . 75.51 110.186 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 59.5 t80 -61.99 -37.39 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.411 -0.813 . . . . 65.51 111.358 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.14 -37.33 77.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.057 -0.257 . . . . 71.04 110.916 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.59 -36.43 80.86 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.782 0.325 . . . . 74.02 110.434 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 71' ' ' LEU . 65.3 t80 -62.27 -49.77 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 72.32 110.049 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' A' ' 68' ' ' ILE . 84.9 mt -61.3 -39.47 90.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 74.34 110.359 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.618 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -57.69 -57.12 14.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.84 . . . . 62.43 111.249 -177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.57 -39.47 93.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.16 0.505 . . . . 74.1 110.627 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HE1' ' HB ' ' A' ' 67' ' ' THR . 48.5 t80 -62.98 -47.32 83.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.524 -0.762 . . . . 74.42 110.565 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.88 78.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 116.136 -0.484 . . . . 63.55 112.913 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 83.4 mt -70.21 -13.11 62.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 72.43 111.387 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -120.39 6.66 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 53.33 111.519 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.407 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 74.8 m80 -144.11 -166.46 2.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.438 -0.346 . . . . 74.54 110.336 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.8 t -109.08 179.99 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.199 -0.297 . . . . 45.44 110.199 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 90.9 t80 -65.8 -40.26 91.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.456 -0.338 . . . . 71.23 111.164 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.43 -42.29 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.65 0.241 . . . . 73.42 111.65 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.479 ' HB ' ' HE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -60.25 -47.33 86.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.276 -0.42 . . . . 45.54 111.193 177.65 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 56' ' ' LEU . 15.4 tt -74.39 -34.6 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.709 -0.223 . . . . 72.11 111.216 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HD3' HH11 ' A' ' 69' ' ' ARG . 0.4 OUTLIER -65.54 -49.14 69.99 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.952 -0.388 . . . . 65.4 109.952 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.61 -45.91 88.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.69 -0.686 . . . . 60.44 110.479 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 55' ' ' PHE . 48.5 tp -52.84 -53.86 42.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.692 -0.685 . . . . 75.52 111.237 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.497 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 43.6 t30 -54.45 -42.36 70.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 71.54 110.948 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -46.73 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.952 -0.567 . . . . 64.34 111.157 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -63.38 -47.75 80.76 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.912 0.387 . . . . 75.14 110.657 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.76 -41.29 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.722 -0.672 . . . . 61.13 111.087 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 76' ' ' ARG . 23.5 ttp85 -62.29 -44.07 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.968 -0.382 . . . . 72.44 109.968 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.74 -38.54 88.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.622 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.17 68.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 73.12 110.995 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.5 -38.04 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 75.04 111.138 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.73 -37.27 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.16 -0.473 . . . . 61.33 110.275 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.61 -41.34 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.342 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.16 87.26 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.096 -0.502 . . . . 55.32 110.573 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.4 mt -64.49 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 71.32 110.256 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -62.22 -42.37 99.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.351 -0.841 . . . . 73.13 111.451 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 87' ' ' TYR . 6.7 pt-20 -79.12 -18.68 52.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.768 0.318 . . . . 70.42 110.887 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.33 12.03 55.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.859 -0.686 . . . . 62.44 112.455 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.445 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 19.4 t80 -69.03 -42.5 76.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.023 0.44 . . . . 71.43 110.678 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.68 133.19 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.259 -0.645 . . . . 54.12 109.259 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 tt -76.32 -35.35 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.104 0.409 . . . . 62.31 112.104 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -136.82 154.85 50.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.332 -0.247 . . . . 74.25 110.332 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -137.73 170.54 10.28 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.38 -0.373 . . . . 62.04 111.032 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 19.8 Cg_exo -68.47 -149.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.981 2.454 . . . . 63.4 111.343 168.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.3 p 54.06 17.45 1.41 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.186 0.594 . . . . 73.22 112.182 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.25 -54.43 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.019 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -132.25 19.59 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.26 0.553 . . . . 40.25 110.229 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.33 137.21 37.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 53.44 110.437 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.69 171.97 7.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 63.2 110.752 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 HG12 ' A' ' 68' ' ' ILE . 89.2 mt -123.96 36.41 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.05 111.641 -171.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.22 129.94 37.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.154 -0.618 . . . . 65.32 109.849 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.23 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.588 . . . . 74.21 110.098 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 64.34 111.034 -179.075 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.764 -0.458 . . . . 60.44 109.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -73.28 129.42 38.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.44 -0.346 . . . . 75.41 110.434 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.795 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 37.1 t80 -59.13 -43.38 91.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.51 . . . . 62.22 111.505 -174.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -57.1 -50.16 73.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 72.24 111.108 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.14 -37.2 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 71.13 110.861 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 64.0 t80 -61.39 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.376 -0.375 . . . . 72.15 110.379 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.03 -43.11 77.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.762 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -68.51 -47.0 68.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.223 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.9 pt20 -67.5 -33.63 75.48 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.683 -0.407 . . . . 62.41 110.123 -178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 65.1 t90 -58.39 -45.66 87.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.164 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 34.5 t80 -69.65 -49.69 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.957 -0.565 . . . . 75.14 111.136 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -56.38 -40.6 74.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 73.0 111.241 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' GLN . 46.9 t -83.01 -26.64 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 111.98 0.363 . . . . 72.54 111.98 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 20.8 m-20 -108.29 -72.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.399 0.888 . . . . 74.03 113.399 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 69.6 mmtt -82.13 -10.19 59.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.249 0.463 . . . . 71.31 112.249 -165.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.1 tp -49.77 -57.09 13.34 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.327 0.862 . . . . 70.15 113.327 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 86.5 Cg_endo -76.92 3.32 6.68 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.061 1.841 . . . . 73.41 113.8 -173.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.57 -8.62 13.32 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.841 -0.344 . . . . 71.42 111.184 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.4 m -117.06 165.71 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.978 0.418 . . . . 72.31 111.311 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -89.02 168.61 12.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 65.42 109.975 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 28.5 mt-10 -70.45 -23.45 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.931 0.396 . . . . 72.5 110.909 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p -65.01 -38.34 90.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.406 -0.59 . . . . 74.52 109.406 171.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.484 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.2 m -69.6 -32.55 71.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.715 -0.675 . . . . 61.52 110.528 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.1 mttt -54.24 -46.12 72.5 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.661 -0.496 . . . . 71.3 109.661 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -56.15 -43.05 77.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 74.52 111.757 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -56.69 -47.98 78.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.97 0.414 . . . . 63.04 110.767 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.75 -40.21 79.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.553 . . . . 63.1 111.346 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.4 -42.07 92.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.142 -0.223 . . . . 74.44 111.001 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.448 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 69.7 m -61.8 -45.51 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.207 -0.294 . . . . 60.22 110.207 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.94 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 71.1 110.555 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -54.65 -50.48 68.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 71.41 111.802 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 30' ' ' SER . 20.4 pttp -67.03 -31.8 72.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.188 -0.205 . . . . 60.52 111.233 -176.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -73.02 -38.85 66.42 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.683 0.278 . . . . 75.44 110.93 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.9 mt -62.76 -51.3 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 72.53 110.553 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 5' ' ' ALA . 19.9 ptmt -68.36 -26.97 65.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.771 0.32 . . . . 70.3 110.948 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.76 -45.95 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 72.32 110.854 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -86.5 -50.46 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 72.34 111.17 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 81.2 m-85 -89.67 59.99 4.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.302 0.572 . . . . 74.03 110.607 -176.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 23.8 mmt180 -55.84 111.45 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.093 -0.958 . . . . 74.12 111.209 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.25 27.43 15.18 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.508 0.505 . . . . 75.14 111.735 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 14.6 tptt -78.8 132.73 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.958 0.408 . . . . 53.4 110.749 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 91.1 mt -69.38 155.44 40.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.623 . . . . 71.34 110.365 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 5.3 tt -61.02 -40.9 95.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.229 0.538 . . . . 72.53 110.05 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.69 -1.29 57.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.62 -0.718 . . . . 61.34 111.726 -176.856 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 28.4 t70 -93.37 -7.13 45.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.399 0.619 . . . . 64.2 110.085 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' HG3' ' A' ' 92' ' ' PRO . 28.4 mm -67.76 127.74 29.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.848 -0.797 . . . . 71.15 108.848 174.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -113.24 152.48 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.913 -0.403 . . . . 74.12 109.913 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 49' ' ' ARG . 11.8 ptt180 -66.09 -37.88 86.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.27 . . . . 61.04 111.509 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.2 p -70.5 -29.7 66.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.091 0.472 . . . . 75.01 110.705 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.94 -38.44 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.798 -0.637 . . . . 70.03 109.959 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.27 -39.49 82.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.361 -0.836 . . . . 72.3 110.997 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -58.85 -40.81 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.518 -0.31 . . . . 74.54 110.542 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 50' ' ' THR . 96.9 mttt -55.51 -41.9 73.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.265 -0.425 . . . . 72.01 110.761 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 71' ' ' LEU . 79.1 t80 -63.43 -44.19 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 74.12 110.314 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 68' ' ' ILE . 96.8 mt -63.55 -41.71 98.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.22 111.084 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.596 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.7 m-20 -54.91 -52.84 61.66 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.648 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.34 -38.19 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 72.33 111.207 -175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -64.87 -38.76 92.04 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.891 0.377 . . . . 72.44 110.268 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 3.91 57.17 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.753 -0.658 . . . . 42.11 112.769 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' ' 101' ' ' SER . 98.5 mt -90.47 -11.51 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.34 110.715 176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -131.11 2.85 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.013 0.375 . . . . 72.24 112.013 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -137.98 166.93 22.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.627 0.251 . . . . 74.31 110.981 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -86.48 168.73 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.303 -0.408 . . . . 53.31 110.728 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' HE2' HH11 ' A' ' 69' ' ' ARG . 75.8 t80 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 72.14 112.067 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.15 -34.96 78.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 52.55 110.081 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -62.71 -46.31 88.72 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.614 -0.721 . . . . 55.44 110.556 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 65' ' ' TYR . 14.1 tt -70.21 -33.42 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.553 -0.294 . . . . 74.02 110.701 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.865 ' HG2' HD13 ' A' ' 98' ' ' LEU . 11.2 mtm180 -59.61 -51.09 71.3 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.907 0.384 . . . . 74.55 110.667 175.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -69.86 -33.87 72.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.926 -0.579 . . . . 65.33 111.004 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 55' ' ' PHE . 24.5 tp -52.91 -55.77 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.25 0.548 . . . . 75.22 109.717 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.2 -39.32 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.169 -0.923 . . . . 73.2 110.913 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.7 m -58.79 -44.91 90.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.106 -0.497 . . . . 53.13 111.717 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -65.83 -46.91 76.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.249 0.547 . . . . 72.12 109.72 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 80.3 mt -60.91 -45.31 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.212 -0.904 . . . . 70.12 111.109 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -65.07 -37.79 88.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.651 -0.25 . . . . 65.52 111.565 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.45 -38.89 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.466 -0.568 . . . . 72.14 109.466 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.12 83.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.109 -0.496 . . . . 55.01 110.993 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 91' ' ' ASN . 36.7 m-85 -63.98 -47.71 79.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.07 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.96 -38.66 89.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.118 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.46 -45.47 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.206 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -59.42 -48.67 80.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.842 -0.617 . . . . 74.44 110.233 175.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.75 -38.2 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 74.34 110.69 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -58.21 -39.38 78.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.262 -0.881 . . . . 55.21 111.788 -173.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -92.61 -36.64 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.698 -0.401 . . . . 75.23 110.624 176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.64 20.97 2.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.953 -0.641 . . . . 71.23 112.045 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 40.8 t80 -72.44 -28.62 63.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.543 . . . . 61.31 110.137 -178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.25 154.98 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 64.11 109.26 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.484 HG23 ' HG2' ' A' ' 90' ' ' LYS . 7.5 tp -75.99 -42.18 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.891 0.33 . . . . 74.14 111.891 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HG2' HG23 ' A' ' 89' ' ' ILE . 17.4 pttm -161.39 -177.17 5.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.854 0.359 . . . . 73.23 111.201 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 18.8 p30 -117.73 147.44 41.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 54.24 111.384 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 47' ' ' ILE . 76.4 Cg_endo -87.71 14.78 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 123.125 2.55 . . . . 74.52 112.677 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.1 p -85.54 26.56 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 70.25 111.447 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -63.7 -42.52 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 73.22 110.195 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -116.82 108.08 15.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 74.02 109.871 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.11 79.41 1.67 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 42.01 109.811 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -85.73 107.9 17.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.299 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 69' ' ' ARG . 59.2 mt -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.512 -0.767 . . . . 74.04 110.846 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -118.82 109.14 15.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.848 -0.614 . . . . 71.04 110.407 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.49 97.64 11.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.008 -0.542 . . . . 62.1 109.901 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' ' 61' ' ' LEU . 32.0 t . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.464 0.65 . . . . 75.51 109.917 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 7' ' ' TYR . 16.5 tt . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.217 0.532 . . . . 75.01 111.461 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 1.3 p -67.32 149.23 50.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 55.02 111.093 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.795 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -55.04 39.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.987 0.422 . . . . 62.11 110.62 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -42.95 90.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.572 -0.74 . . . . 73.32 110.513 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.506 ' HB2' HG23 ' A' ' 2' ' ' ILE . 88.7 t80 -59.58 -46.98 87.32 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.037 -0.529 . . . . 75.11 110.972 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.61 -46.02 81.14 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.448 0.468 . . . . 72.25 110.81 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.77 -47.65 74.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 73.32 110.754 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -61.23 -46.79 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 54.33 110.317 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -55.71 -48.43 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 74.21 110.775 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.473 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.0 t80 -61.89 -54.71 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 73.15 111.307 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.752 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 28.0 tt0 -63.78 -28.76 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.414 -0.357 . . . . 71.34 111.759 -171.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.53 -28.32 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.173 -0.329 . . . . 71.41 111.707 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -111.54 -43.7 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.493 0.923 . . . . 73.41 113.493 -170.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 5.4 mptp? -108.56 -14.73 14.58 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.416 0.524 . . . . 75.45 112.416 -171.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.752 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 12.8 tp -48.33 -57.58 10.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.232 0.827 . . . . 71.2 113.232 -173.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 8.7 Cg_endo -86.21 17.51 1.74 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.514 2.143 . . . . 75.11 112.956 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -122.08 -0.47 9.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 73.14 110.717 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.726 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.5 m -127.33 152.36 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.398 . . . . 73.13 111.04 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -87.77 176.96 7.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 73.45 111.054 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.16 -31.37 68.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.639 -0.709 . . . . 74.22 111.756 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 p -62.84 -50.0 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.406 . . . . 64.53 110.411 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.726 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -70.3 -31.46 68.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 74.41 110.702 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 50.7 mttm -56.98 -51.54 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 65.24 110.542 175.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.96 -28.43 68.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.092 -0.504 . . . . 71.55 111.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' THR . 20.1 m-70 -56.44 -51.25 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.07 0.462 . . . . 71.03 109.92 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.12 -40.84 95.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.797 -0.638 . . . . 52.23 111.255 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.7 -37.59 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 61.2 111.099 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.4 m -67.48 -41.58 84.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.437 . . . . 65.01 110.177 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.06 77.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.957 -0.565 . . . . 61.34 110.503 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -58.3 -42.0 85.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.578 . . . . 73.0 111.673 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -69.73 -31.78 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.447 -0.501 . . . . 65.4 111.174 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -77.48 -34.29 54.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.035 0.445 . . . . 65.21 110.674 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.05 -50.2 71.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.118 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -62.25 -28.09 69.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 73.44 110.822 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.53 -45.52 75.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 71.41 111.415 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -86.59 -44.77 11.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 64.02 111.118 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -113.14 97.63 6.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.157 -0.474 . . . . 54.14 109.73 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -91.3 -48.52 6.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.713 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -130.88 31.5 4.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 72.43 111.212 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -87.91 127.26 35.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.005 -0.543 . . . . 63.43 109.793 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 85.2 mt -63.43 157.32 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 70.25 110.578 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -54.93 -41.76 71.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.131 0.491 . . . . 71.33 110.721 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -87.66 -3.9 58.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 62.31 111.573 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.2 t70 -92.31 -13.54 30.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.032 0.444 . . . . 61.43 110.016 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.5 107.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.803 -0.635 . . . . 73.13 110.472 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.56 136.7 39.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.978 -0.555 . . . . 74.34 109.726 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.08 -28.38 70.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 74.24 111.187 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -66.72 -45.22 79.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.396 -0.365 . . . . 73.41 110.396 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.76 -31.03 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 61.31 110.562 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 75' ' ' ILE . 63.7 t80 -60.11 -37.89 81.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 75.23 110.016 174.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.96 -37.58 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 72.55 110.579 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.936 0.398 . . . . 75.54 110.143 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.2 t80 -57.75 -44.52 86.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.332 -0.849 . . . . 74.21 110.403 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.22 -43.09 78.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 71.34 111.253 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -60.35 -49.52 77.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.511 -0.313 . . . . 70.3 110.692 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.01 -44.63 84.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 71.44 110.173 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.63 -37.55 87.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 74.25 110.488 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.74 -1.05 82.91 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.052 -0.522 . . . . 75.12 112.931 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.9 mt -90.19 -16.92 28.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 73.04 110.165 174.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.2 p -119.99 2.53 10.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 55.33 111.93 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -139.89 160.83 39.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 65.12 111.38 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 t -80.53 169.5 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 71.11 110.231 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.1 0.408 . . . . 63.22 112.1 -173.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.42 -34.35 72.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.387 -0.525 . . . . 71.2 111.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -64.59 -44.85 89.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.496 -0.32 . . . . 74.02 110.478 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 14.7 tt -71.55 -33.18 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.679 0.276 . . . . 62.11 110.298 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -56.48 -49.9 73.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.365 -0.379 . . . . 75.21 110.514 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.79 -50.09 69.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.908 0.385 . . . . 63.21 110.597 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.9 tp -52.91 -51.63 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.506 -0.77 . . . . 71.11 110.865 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.07 -38.26 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.932 -0.576 . . . . 73.42 110.913 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -59.77 -45.98 90.58 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.268 -0.423 . . . . 64.42 110.704 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -63.99 -45.9 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 73.43 110.346 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 52' ' ' TYR . 64.3 mt -63.84 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 74.01 110.878 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -56.69 -50.31 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.193 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -64.7 -37.13 86.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.518 -0.764 . . . . 65.24 111.206 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.95 61.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 71.14 111.281 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.458 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 31.2 m-85 -65.1 -41.64 94.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 74.31 111.215 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.552 ' O ' HG22 ' A' ' 83' ' ' ILE . 36.1 t70 -62.44 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 75.42 110.852 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.65 -42.21 87.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 54.23 110.083 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.39 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 65.33 111.362 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 80' ' ' ASP . 11.8 tt -68.79 -29.4 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.772 -0.195 . . . . 54.11 110.588 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -54.96 -31.92 61.07 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.397 . . . . 74.22 110.407 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -95.49 -11.32 27.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.31 110.668 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 12.77 82.43 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.058 -0.817 . . . . 63.43 111.058 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.95 -27.57 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 64.11 110.697 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.09 159.5 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.882 -0.599 . . . . 61.02 109.605 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.53 -164.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.764 0.316 . . . . 74.22 110.86 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -53.98 124.14 14.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.354 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 93.3 m-20 -50.29 126.7 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.222 -0.899 . . . . 61.01 112.452 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 32.4 Cg_exo -60.42 -9.1 10.02 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.657 2.904 . . . . 72.43 112.928 178.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.9 p -72.68 5.22 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.169 0.509 . . . . 61.44 110.457 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.417 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 56.9 t80 -51.38 -35.67 39.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.051 -0.977 . . . . 74.13 110.574 172.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG2' ' HD2' ' A' ' 94' ' ' TYR . 74.3 mmtt -122.89 87.88 2.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.897 -0.592 . . . . 74.15 109.714 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.99 86.98 2.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.35 0.595 . . . . 71.43 111.284 -177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.68 110.65 23.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.846 -0.616 . . . . 53.42 110.475 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 80.6 mt -86.16 74.14 10.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.63 . . . . 60.05 110.12 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -98.54 82.36 2.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.971 -0.559 . . . . 64.33 110.451 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 98.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 31.11 109.276 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 61' ' ' LEU . 5.1 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 61.12 111.22 -170.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 3' ' ' THR . 12.4 tt . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 2' ' ' ILE . 6.4 p -76.38 143.07 40.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.519 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 29.0 t80 -60.7 -45.76 92.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.444 -0.344 . . . . 70.03 111.808 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.49 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.029 0.443 . . . . 70.13 110.699 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -41.67 97.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 72.31 110.859 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.38 -46.91 88.2 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.623 -0.262 . . . . 73.41 110.796 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -59.77 -44.22 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.386 . . . . 75.14 110.349 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.2 -47.02 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 74.4 110.582 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.8 tt0 -60.43 -48.73 80.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.161 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.6 t90 -54.04 -52.33 61.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 71.31 110.456 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.5 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 14.6 t80 -60.13 -47.09 87.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.222 -0.445 . . . . 74.2 111.408 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.633 ' HG3' HD22 ' A' ' 17' ' ' LEU . 32.7 tt0 -63.3 -20.94 65.93 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.25 -174.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 42.0 t -97.54 -33.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 70.42 111.053 176.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.3 t-20 -92.66 -53.39 4.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.742 0.645 . . . . 74.1 112.742 -164.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 20' ' ' VAL . 74.2 mmtt -114.12 -9.78 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.671 -0.412 . . . . 65.11 112.028 -169.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 28.1 tp -54.24 -55.26 38.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.871 0.693 . . . . 75.15 112.871 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.8 Cg_endo -85.57 17.89 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.113 1.875 . . . . 71.2 112.971 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -123.71 -46.21 2.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 73.25 111.424 -175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 24.5 m -79.73 161.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.488 -0.324 . . . . 44.13 111.067 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 41.9 m -82.67 170.04 15.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 25.41 110.25 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 pm0 -61.03 -27.02 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.35 111.832 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 p -63.33 -51.34 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.734 0.302 . . . . 75.44 110.465 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 19.2 m -66.94 -31.35 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 52.23 110.343 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 97.3 mttt -59.16 -41.82 89.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.654 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -74.01 -28.8 61.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 72.42 111.204 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -60.85 -47.37 86.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.063 -0.347 . . . . 64.55 110.063 172.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 35.6 m-85 -61.39 -40.16 93.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.083 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -59.87 -46.05 90.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 75.05 110.713 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 45.0 m -62.47 -44.99 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.936 -0.575 . . . . 74.13 110.384 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -49.68 76.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.094 -0.503 . . . . 54.54 110.731 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.26 -39.8 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 74.41 111.895 -177.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 30' ' ' SER . 14.1 ptmm? -66.69 -34.93 78.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.54 -0.464 . . . . 71.24 110.577 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -71.19 -38.46 72.1 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.909 0.385 . . . . 75.42 110.028 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.63 -44.72 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 72.53 110.484 176.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.8 ttmm -59.41 -32.43 70.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.606 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.77 -48.31 15.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 73.43 111.92 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.89 -35.0 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.664 0.268 . . . . 71.23 110.943 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 75.4 m-85 -123.46 75.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 62.03 110.737 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 15.6 mtp180 -76.75 95.91 4.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.372 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 m170 65.16 31.25 11.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.507 -0.77 . . . . 74.35 111.133 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 43.2 tptt -78.68 132.16 36.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.328 -0.851 . . . . 61.12 109.155 173.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 96.8 mt -61.7 138.46 58.32 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.6 pt? -60.57 -31.46 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.17 0.509 . . . . 65.33 111.21 -174.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -90.59 3.42 54.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.987 -0.551 . . . . 74.12 110.952 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 19.8 t70 -102.52 -2.14 29.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.318 0.58 . . . . 73.0 109.631 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG13 ' CE1' ' A' ' 39' ' ' PHE . 1.8 mp -69.5 115.65 8.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.708 -0.678 . . . . 74.32 109.2 172.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -72.76 149.72 43.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.615 . . . . 55.13 109.674 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' ' 92' ' ' PRO . 1.2 mpp_? -58.38 -36.15 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.348 0.594 . . . . 72.13 109.746 177.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 6.7 p -70.88 -39.12 73.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.395 -0.821 . . . . 73.43 111.298 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -62.46 -41.92 99.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.503 0.192 . . . . 75.11 111.336 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.3 t80 -64.79 -41.4 95.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.373 -0.376 . . . . 73.4 109.997 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -64.38 -43.61 93.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.34 109.787 177.077 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' THR . 67.7 mttm -60.31 -42.46 95.6 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.828 0.346 . . . . 62.35 110.94 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 71' ' ' LEU . 87.6 t80 -58.33 -41.12 83.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 64.21 110.37 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' ILE . 95.0 mt -66.95 -37.73 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 62.44 110.642 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 9.3 m120 -60.59 -51.37 69.68 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.879 -0.415 . . . . 74.25 109.879 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.412 -0.813 . . . . 60.1 111.212 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -70.85 -35.96 72.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.542 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.53 -1.58 77.07 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.998 -0.546 . . . . 74.4 112.734 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 101' ' ' SER . 96.0 mt -90.69 -16.33 28.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 73.23 110.422 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 p -122.61 -9.42 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.514 0.561 . . . . 73.13 112.514 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -135.76 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 72.2 112.066 -173.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -80.6 168.36 18.98 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.352 -0.84 . . . . 61.0 110.768 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.94 -45.94 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.21 111.524 -174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -63.0 -33.47 75.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.38 -0.528 . . . . 73.25 110.205 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -66.18 -49.21 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.975 -0.557 . . . . 54.53 110.659 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.9 tt -67.47 -34.74 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.96 0.41 . . . . 71.42 110.454 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.08 -42.01 99.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.066 0.46 . . . . 75.44 110.426 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -71.37 -38.16 71.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 71.32 110.095 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.5 tp -56.7 -51.67 67.89 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.987 -0.552 . . . . 61.4 110.721 173.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.423 HD21 ' NH2' ' A' ' 76' ' ' ARG . 32.7 t30 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.447 -0.797 . . . . 75.32 110.358 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -61.38 -47.98 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 52.14 110.704 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -53.41 -54.21 40.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.082 0.468 . . . . 45.22 111.04 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.435 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.6 mt -65.57 -36.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 73.52 110.952 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' NH2' HD21 ' A' ' 72' ' ' ASN . 13.1 ttm180 -66.18 -37.53 85.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 64.25 110.604 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -66.19 -42.05 89.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.437 -0.347 . . . . 74.42 110.302 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.95 89.99 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.115 -0.493 . . . . 41.45 110.878 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.43 ' HB3' ' CG ' ' A' ' 91' ' ' ASN . 25.2 m-85 -71.0 -30.62 66.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 64.02 111.731 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 t70 -60.37 -40.1 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.626 -0.509 . . . . 72.33 109.626 174.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 3.0 m-20 -69.93 -41.07 75.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.499 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.42 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 54.31 111.185 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.43 -32.5 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.091 0.472 . . . . 71.25 110.391 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 51.7 t-80 -64.64 -29.3 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.263 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 36.6 mm-40 -99.08 -3.35 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 65.14 110.713 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.76 27.83 52.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.911 -0.661 . . . . 65.43 112.386 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.845 -0.428 . . . . 74.4 109.845 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.673 HG22 ' HB3' ' A' ' 45' ' ' LYS . 52.4 t -108.07 130.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.986 -0.552 . . . . 63.51 109.92 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.598 HG12 ' HG2' ' A' ' 90' ' ' LYS . 8.2 tt -67.94 -50.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.516 -178.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.598 ' HG2' HG12 ' A' ' 89' ' ' ILE . 31.9 mmmt -129.18 109.78 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.731 -0.47 . . . . 44.14 109.731 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 97.2 m-20 -58.13 136.74 84.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 52.31 111.939 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 12.9 Cg_exo -72.14 12.15 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.711 2.941 . . . . 75.42 112.988 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -80.31 -12.31 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.356 0.598 . . . . 63.43 110.714 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -70.78 141.5 51.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.49 -0.777 . . . . 72.22 109.992 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm 74.62 -6.61 1.88 Allowed 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.506 0.504 . . . . 54.32 111.531 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.3 136.46 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.882 0.372 . . . . 61.4 110.713 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 45.2 mt-10 -136.07 156.8 48.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.343 -0.389 . . . . 73.03 110.892 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.38 144.83 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 73.14 109.951 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -157.53 90.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 74.44 110.596 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.71 99.28 10.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.364 -0.606 . . . . 62.21 109.364 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.6 ' HB3' HD23 ' A' ' 61' ' ' LEU . 18.1 t . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 121.183 0.516 . . . . 75.14 111.039 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.427 HG22 ' HE2' ' A' ' 87' ' ' TYR . 11.2 tp . . . . . 0 C--O 1.235 0.32 0 CA-C-O 121.259 0.552 . . . . 72.12 111.201 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.5 p -82.37 141.52 32.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 64.51 110.071 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.36 -46.42 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.315 0.385 . . . . 73.42 111.983 -174.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.55 -55.26 36.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.038 0.447 . . . . 65.12 111.225 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.25 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 74.21 111.114 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -65.84 -46.24 79.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 74.12 110.392 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.28 -45.59 87.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.868 -0.605 . . . . 72.42 110.455 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.73 -47.38 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.899 -0.591 . . . . 73.33 110.732 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -47.38 84.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.273 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.1 t90 -55.03 -39.29 68.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.601 . . . . 72.55 110.918 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.579 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 20.2 t80 -73.63 -53.48 10.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.307 -0.406 . . . . 75.34 111.27 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 17' ' ' LEU . 40.8 tt0 -61.24 -38.1 85.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.951 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -83.82 -18.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.838 0.351 . . . . 65.21 111.475 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 85.8 m-20 -116.31 -68.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.763 0.653 . . . . 63.21 112.763 -173.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 70.6 mmtt -86.2 -17.99 33.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.33 0.493 . . . . 73.55 112.33 -165.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' HG3' ' A' ' 13' ' ' GLU . 26.3 tp -55.61 -55.04 44.79 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 112.998 0.74 . . . . 73.12 112.998 -174.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.3 Cg_endo -64.8 -6.1 11.84 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.651 2.234 . . . . 75.22 114.367 -173.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -103.67 -13.25 16.57 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.013 -0.275 . . . . 62.04 111.434 -174.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 21.3 m -119.62 179.13 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 73.03 111.553 -174.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -120.9 -177.42 3.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 74.41 109.827 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 78.8 mm-40 -49.44 -36.44 22.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 72.12 112.14 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -57.08 -43.94 82.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 64.52 111.418 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 27.8 m -80.68 -31.35 36.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 73.03 110.493 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 22' ' ' GLU . 10.4 mtpm? -56.94 -41.41 78.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.071 -0.513 . . . . 70.45 110.706 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 49.3 mtt180 -54.3 -45.9 72.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.374 -0.376 . . . . 71.32 110.823 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.29 -49.33 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 60.21 110.929 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -61.69 -46.84 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.469 -0.332 . . . . 71.4 111.746 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.72 -48.35 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 63.02 111.72 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 p -68.23 -31.25 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.89 -0.324 . . . . 61.42 110.995 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.46 -50.57 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 73.14 109.995 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -58.05 -35.91 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.58 -0.736 . . . . 65.21 110.741 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -66.21 -43.61 86.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.396 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.01 -37.1 86.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.845 0.355 . . . . 64.34 110.707 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.3 mt -62.51 -50.77 78.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.52 110.291 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.1 -28.22 69.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 71.55 110.582 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.08 -41.39 77.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.92 -0.582 . . . . 64.43 111.176 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -87.53 -39.83 14.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 73.41 111.455 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 61.5 m-85 -122.74 92.29 3.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 70.12 109.577 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -76.22 -52.63 9.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.169 0.509 . . . . 73.52 110.815 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.27 23.34 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.424 0.631 . . . . 75.42 110.054 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 13.9 tptp -67.82 126.06 28.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.094 -0.957 . . . . 70.31 109.512 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 82.3 mt -62.94 146.6 52.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 63.4 110.763 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -53.5 -43.77 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.552 0.532 . . . . 75.34 111.458 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -79.28 -4.42 50.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 65.12 111.722 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.7 t70 -100.76 -7.56 23.6 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.104 -0.238 . . . . 65.03 111.133 -172.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.26 110.81 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.309 0.576 . . . . 74.22 109.542 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.668 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 55.1 mtpt -83.0 145.58 29.25 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.763 -0.653 . . . . 65.44 109.949 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.705 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 22.6 mtt180 -61.9 -30.76 71.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 70.11 110.695 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -28.49 65.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 62.13 110.795 177.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.668 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 41.1 mt-10 -76.05 -46.04 31.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.04 0.447 . . . . 72.34 109.897 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 75' ' ' ILE . 28.9 t80 -60.99 -35.48 76.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.445 -0.798 . . . . 72.51 110.763 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -53.32 55.17 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.575 -0.528 . . . . 64.34 109.575 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.92 -40.85 90.27 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.356 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.1 t80 -55.15 -45.4 75.65 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.044 -0.526 . . . . 62.43 111.47 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.42 -33.3 67.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 64.13 111.314 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -59.28 -51.34 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 73.22 110.558 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.19 -31.6 71.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 73.41 110.848 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -73.69 -35.35 65.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 75.01 109.916 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.66 -2.81 90.13 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.856 -0.611 . . . . 75.41 112.638 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 101' ' ' SER . 92.1 mt -90.55 -17.27 27.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.23 110.409 174.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 p -118.27 -32.76 4.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 51.52 112.346 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.29 154.59 24.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.932 0.396 . . . . 65.42 111.455 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 m -64.8 163.72 13.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.716 -0.675 . . . . 71.25 111.199 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -60.43 -44.34 95.88 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.425 -0.352 . . . . 54.31 111.544 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.34 -30.32 71.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.894 0.378 . . . . 53.22 110.325 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -70.53 -46.72 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 53.44 110.672 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.06 -33.92 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.817 0.341 . . . . 72.23 110.423 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -58.83 -50.07 75.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 62.12 111.158 177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.78 -35.58 78.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.67 -0.412 . . . . 62.32 110.1 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.766 HD13 ' HB1' ' A' ' 31' ' ' ALA . 47.6 tp -59.24 -49.46 77.77 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.576 -0.284 . . . . 73.15 110.348 176.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' A' ' 98' ' ' LEU . 24.4 t30 -51.72 -44.61 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 71.42 110.338 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -44.41 97.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 61.12 110.674 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -62.07 -44.61 96.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.285 -0.265 . . . . 74.1 110.285 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.5 mm -58.8 -48.49 86.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.357 178.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 93' ' ' THR . 77.2 mtp180 -59.13 -49.2 78.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 62.21 110.82 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.14 -40.43 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.279 . . . . 40.12 111.582 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.71 86.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.311 . . . . 70.43 111.063 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 83' ' ' ILE . 32.9 m-85 -71.19 -37.96 72.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.528 -0.305 . . . . 74.33 111.19 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.89 -35.43 80.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 72.33 110.377 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -48.89 79.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 73.23 109.321 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.07 82.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.358 -0.837 . . . . 74.1 111.005 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 79' ' ' PHE . 18.7 mm -59.56 -47.38 91.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 71.14 110.653 175.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.76 -38.65 91.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.66 -0.7 . . . . 74.52 110.976 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -78.9 -15.49 58.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.831 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.41 26.72 46.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.124 -0.56 . . . . 31.53 111.779 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.427 ' HE2' HG22 ' A' ' 2' ' ' ILE . 28.5 t80 -92.26 -28.25 17.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.79 0.329 . . . . 72.32 111.388 -174.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.3 151.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.741 -0.466 . . . . 62.05 109.741 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.8 tt -74.07 -49.61 32.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.527 0.566 . . . . 63.12 112.527 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -153.15 154.94 35.77 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.693 0.282 . . . . 63.44 111.317 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -74.08 135.43 76.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 73.21 110.109 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.705 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 Cg_endo -76.7 0.44 9.58 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 25.3 111.857 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.604 HG21 ' HG2' ' A' ' 76' ' ' ARG . 13.5 p -73.4 86.8 1.52 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.446 0.641 . . . . 72.43 110.316 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 49' ' ' ARG . 78.8 t80 -117.83 -65.31 1.19 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.128 -0.942 . . . . 74.55 109.403 -177.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 15.4 ptpt -112.08 34.47 4.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.179 -0.919 . . . . 74.23 109.447 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.84 79.99 8.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.258 -0.883 . . . . 71.21 110.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.16 134.03 44.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.763 -0.653 . . . . 65.42 110.372 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.6 mt -85.03 114.72 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 65.03 110.706 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -142.65 104.0 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.142 -0.481 . . . . 63.34 109.993 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.45 119.95 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.851 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.646 ' HB2' HD23 ' A' ' 61' ' ' LEU . 53.6 m . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 121.302 0.572 . . . . 53.51 110.321 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.0 tt . . . . . 0 C--O 1.235 0.325 0 N-CA-C 109.416 -0.587 . . . . 75.33 109.416 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -66.31 133.99 51.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.547 0.213 . . . . 74.32 110.608 176.118 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.636 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 30.5 t80 -61.89 -36.44 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 71.33 111.431 -175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 71.34 110.584 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.21 -38.81 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 61.31 110.639 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' HG23 ' A' ' 2' ' ' ILE . 89.1 t80 -59.85 -48.08 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 73.41 110.97 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.22 -49.01 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.03 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.55 -42.45 87.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 61.33 110.978 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.28 -46.45 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.293 . . . . 74.2 110.253 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -54.72 -46.38 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 73.1 110.179 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 6.2 t80 -60.03 -49.17 78.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 74.24 111.276 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.766 ' HG3' HD22 ' A' ' 17' ' ' LEU . 31.6 tt0 -70.13 -10.28 58.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.098 0.475 . . . . 74.51 111.243 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.14 -26.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.381 . . . . 52.53 111.589 176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -110.95 -33.3 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.55 0.945 . . . . 74.13 113.55 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.9 mmtt -117.23 -22.78 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.229 0.455 . . . . 71.1 112.229 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.772 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 18.3 tp -47.94 -59.22 6.13 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.485 0.92 . . . . 54.42 113.485 -169.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 13.4 Cg_endo -91.0 19.51 1.11 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.371 2.047 . . . . 63.21 112.802 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -121.62 -50.51 2.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 74.32 111.436 -174.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 16' ' ' LYS . 21.9 m -81.2 164.46 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 72.15 111.036 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -72.79 160.15 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.507 -0.315 . . . . 51.0 110.526 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 42.3 mt-10 -69.96 -23.39 63.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 54.45 110.286 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -61.83 -43.23 99.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.986 -0.746 . . . . 75.2 108.986 171.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 28' ' ' TYR . 63.3 m -66.33 -36.95 84.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.541 -0.754 . . . . 74.12 110.511 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 98.7 mttt -55.87 -37.01 68.23 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.67 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.82 -33.69 76.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 64.15 110.686 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -68.87 -36.97 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.45 110.116 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HE2' HG22 ' A' ' 24' ' ' THR . 62.3 m-85 -65.78 -38.21 88.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.45 110.73 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.34 -50.97 71.26 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.145 -0.317 . . . . 74.12 110.145 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 t -61.0 -44.47 97.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 74.22 110.602 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.87 -56.13 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.87 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.05 -42.65 90.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.599 -0.728 . . . . 71.24 112.011 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -69.6 -34.11 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.792 -0.363 . . . . 73.04 111.335 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -75.75 -35.86 60.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 63.13 110.481 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.1 mt -62.38 -51.09 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 72.22 110.635 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.2 ptmt -69.1 -26.99 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 44.15 110.711 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.23 -47.74 84.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.03 -0.532 . . . . 74.12 110.909 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -84.84 -51.19 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.285 -0.416 . . . . 72.14 111.25 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m-85 -92.55 52.07 1.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.423 . . . . 74.23 111.196 -174.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 36' ' ' LYS . 13.6 mtm180 -60.9 108.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.887 -0.597 . . . . 72.41 111.189 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.29 25.22 14.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.424 -0.807 . . . . 73.35 111.643 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 2.0 tpmt? -84.42 127.96 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.191 -0.459 . . . . 72.25 109.975 176.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.37 153.45 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.31 111.387 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 tp -53.97 -45.12 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.502 -0.772 . . . . 73.43 112.155 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -82.78 -7.86 59.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.563 -0.29 . . . . 74.22 111.587 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.51 6.33 45.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.144 0.497 . . . . 72.3 110.549 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.65 HD13 ' HG2' ' A' ' 42' ' ' LYS . 47.1 mm -68.71 114.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.992 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.55 126.43 30.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 64.04 109.436 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -63.19 -31.69 72.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 70.04 111.036 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -70.63 -40.41 73.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 54.35 110.586 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 65.03 109.933 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 75' ' ' ILE . 53.7 t80 -64.63 -43.51 93.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 71.41 110.962 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.32 -46.39 80.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.994 0.426 . . . . 64.32 110.078 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -56.96 -40.17 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 55.2 110.7 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.5 t80 -55.24 -48.25 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 75.51 110.631 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.36 -44.32 88.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 53.15 110.602 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.841 ' HA ' ' HB3' ' A' ' 99' ' ' HIS . 4.2 m-20 -57.9 -42.55 84.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 51.3 111.24 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -71.65 -42.76 67.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.492 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.99 -39.91 83.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 74.15 111.028 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 99' ' ' HIS . . . -81.56 4.73 71.99 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.058 -0.592 . . . . 61.34 113.079 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.0 mt -91.14 -8.53 48.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 73.11 110.393 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 p -135.85 5.57 3.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.012 -0.54 . . . . 70.13 111.644 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -138.98 156.25 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.655 0.264 . . . . 71.31 111.035 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -69.45 157.63 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.808 -0.633 . . . . 73.25 110.577 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' HG22 ' A' ' 68' ' ' ILE . 89.8 t80 -59.79 -38.51 82.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 61.13 111.013 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.47 -35.66 81.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.115 0.483 . . . . 72.23 110.27 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 m -70.73 -45.11 65.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.729 -0.669 . . . . 72.41 110.95 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 65' ' ' TYR . 7.1 tt -69.35 -34.89 64.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.842 0.353 . . . . 74.32 110.813 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.46 -44.64 90.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.037 0.446 . . . . 75.3 110.028 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.7 ttmt -61.75 -45.01 95.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.458 -0.792 . . . . 70.44 109.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.455 HD21 ' CE2' ' A' ' 55' ' ' PHE . 23.4 tp -53.87 -56.16 20.17 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.583 -0.735 . . . . 73.11 111.298 172.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.98 -44.73 60.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.029 -0.532 . . . . 71.15 111.335 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.1 m -59.48 -41.28 89.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 74.31 111.037 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 21.2 m-85 -62.89 -54.42 38.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 54.25 110.882 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.636 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 46.4 mt -63.78 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.85 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.51 -43.52 93.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.473 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -67.94 -33.97 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 63.12 111.222 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.41 71.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 64.05 111.027 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 23.0 m-85 -67.82 -37.53 82.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.439 -0.346 . . . . 70.44 110.943 177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.95 -38.25 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 65.45 110.557 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.53 -40.64 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.86 0.362 . . . . 73.12 110.29 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 72.34 111.274 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 90' ' ' LYS . 12.0 tt -73.12 -32.79 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.871 0.367 . . . . 71.24 110.568 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -63.9 -30.01 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.357 0.599 . . . . 70.21 110.131 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.7 -24.57 38.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 75.12 110.213 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.5 26.18 57.42 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.418 -1.073 . . . . 62.14 110.418 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -99.23 0.1 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.864 -0.668 . . . . 55.41 110.899 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG22 ' H ' ' A' ' 89' ' ' ILE . 5.6 p -156.12 -179.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.934 -0.395 . . . . 52.22 109.934 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.695 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.3 pt -71.96 -168.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.285 . . . . 61.15 111.051 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 83' ' ' ILE . 19.6 pttp -83.13 39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.011 0.434 . . . . 73.42 111.867 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 84.8 m-20 70.1 131.2 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 115.074 -0.966 . . . . 74.31 113.39 173.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 5.8 Cg_exo -79.81 -4.68 13.55 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.604 2.869 . . . . 71.04 110.943 170.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.471 HG23 ' HE2' ' A' ' 52' ' ' TYR . 1.9 m -79.13 34.65 0.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.391 -0.822 . . . . 63.1 110.531 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.44 -62.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.07 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -108.95 42.89 1.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.565 0.697 . . . . 74.31 110.62 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.44 97.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 60.55 110.973 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.11 149.28 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.093 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.9 mt -88.28 102.0 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 74.4 110.369 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.841 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . 72.2 t60 -101.99 96.42 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.674 . . . . 74.43 110.451 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -120.98 108.13 13.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.391 -178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.657 -178.362 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 C--O 1.242 0.7 0 CA-C-O 121.754 0.788 . . . . 73.35 112.07 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -73.05 145.92 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.845 -1.071 . . . . 75.15 110.54 174.045 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -65.49 -38.32 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.817 0.303 . . . . 63.14 111.817 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.35 -56.1 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 62.45 110.743 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.08 -39.84 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 74.43 110.67 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 71.9 t80 -60.68 -45.1 95.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.622 . . . . 71.41 111.193 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.29 -47.37 86.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 72.0 111.478 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' HE1' ' HG2' ' A' ' 29' ' ' GLU . 50.6 t80 -67.92 -42.36 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.521 -0.472 . . . . 71.42 110.949 -176.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 4.8 pp0? -69.47 -35.18 75.36 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.523 -0.471 . . . . 73.22 109.918 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.54 -43.07 84.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.282 0.563 . . . . 74.41 109.734 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 32.9 t80 -67.96 -56.48 8.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.365 -0.834 . . . . 70.1 110.611 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.72 ' HG2' HD22 ' A' ' 17' ' ' LEU . 2.6 tm-20 -56.89 -41.92 78.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.064 -0.516 . . . . 73.42 111.844 -174.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.94 -33.71 56.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 72.02 111.891 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -106.79 -65.68 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.457 -0.497 . . . . 70.44 111.71 -172.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -96.16 94.69 7.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.731 -0.47 . . . . 71.4 109.731 -177.73 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 13' ' ' GLU . 16.0 tp -150.0 -59.67 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.406 -0.517 . . . . 54.11 111.575 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 52.7 Cg_endo -70.29 -17.42 35.16 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.681 1.588 . . . . 75.13 112.169 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -91.85 -9.17 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 74.03 110.603 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.36 171.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.101 -0.499 . . . . 63.31 110.427 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -111.76 171.17 7.65 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.892 -0.41 . . . . 52.54 109.892 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 45.2 mt-10 -62.35 -23.24 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.26 0.467 . . . . 60.1 112.26 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t -60.09 -39.9 87.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 64.55 109.704 172.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 m -75.64 -38.42 58.89 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.087 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' HA ' ' A' ' 22' ' ' GLU . 25.2 mtpt -56.3 -36.82 69.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.266 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.5 tpt180 -56.29 -37.44 69.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.323 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.79 -47.02 56.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 74.24 110.722 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -64.36 -42.74 96.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 74.51 110.846 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.733 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.69 -40.48 84.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.565 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.4 t -51.39 -48.38 62.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.586 -0.524 . . . . 72.14 109.586 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -57.41 -51.43 69.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.48 -0.782 . . . . 74.01 110.34 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.66 -44.01 80.92 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.9 -0.591 . . . . 73.3 112.401 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 24.5 mmmt -61.42 -45.12 95.67 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.882 -0.414 . . . . 64.41 109.882 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -72.49 -32.08 65.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.855 -0.611 . . . . 65.14 110.627 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -64.32 -48.59 84.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 109.854 -0.424 . . . . 42.42 109.854 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 36' ' ' LYS . 23.1 ttpp -62.72 -28.38 69.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 73.05 110.736 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.09 -46.71 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 71.43 111.455 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -86.77 -27.01 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 72.04 111.169 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 59.4 m-85 -126.74 83.04 2.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 74.25 110.224 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -65.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.934 -0.765 . . . . 75.43 108.934 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.447 ' HA ' HG21 ' A' ' 3' ' ' THR . 28.7 m-70 -121.05 82.43 1.92 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.284 -0.871 . . . . 74.02 110.266 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.899 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 14.1 ttmm -139.27 107.72 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.414 -1.266 . . . . 51.23 108.494 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -56.44 151.73 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.498 -0.774 . . . . 74.31 110.353 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.631 ' HG ' HG11 ' A' ' 88' ' ' VAL . 2.7 pt? -71.21 -6.06 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.169 -0.612 . . . . 63.01 111.113 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -93.75 -8.62 40.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 75.02 110.243 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.93 -32.2 13.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.388 -0.597 . . . . 75.33 109.388 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.8 mt -70.78 134.96 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.045 -0.98 . . . . 72.44 110.24 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.882 ' HG2' ' HG2' ' A' ' 51' ' ' GLU . 13.8 ptpt -139.58 -174.47 3.9 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.469 -0.787 . . . . 73.53 109.02 -177.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 11.6 ptt180 -58.01 -37.09 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.953 0.353 . . . . 71.53 111.953 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 70.4 p -71.3 -36.61 71.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 60.53 110.7 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.882 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 15.0 mm-40 -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.378 0.608 . . . . 73.43 109.98 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 10.0 t80 -69.67 -39.29 77.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.167 -0.924 . . . . 65.21 110.204 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.56 -39.21 79.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.709 -0.678 . . . . 75.31 110.916 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 50' ' ' THR . 63.2 mttm -56.18 -51.87 66.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.305 0.574 . . . . 75.4 110.194 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 61.8 t80 -62.23 -44.55 96.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.929 -1.032 . . . . 63.54 111.014 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.83 -44.67 96.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.369 -0.378 . . . . 73.42 111.252 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.0 m-20 -60.63 -50.62 72.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 73.43 111.567 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.15 -30.4 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 72.3 111.368 -176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.92 -38.93 44.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 72.35 110.77 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 100' ' ' ALA . . . -70.03 -26.37 74.39 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.096 -0.502 . . . . 53.34 112.952 -177.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 89.8 mt -78.51 -7.76 57.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.607 -0.349 . . . . 70.52 111.324 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 p -124.15 4.2 8.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.915 0.339 . . . . 74.13 111.915 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -143.52 165.15 28.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.709 0.29 . . . . 74.15 111.168 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -71.28 159.61 34.29 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.251 -0.432 . . . . 73.22 110.939 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.29 -41.38 84.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.994 -0.548 . . . . 74.33 111.522 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' HG3' HH21 ' A' ' 69' ' ' ARG . 39.9 tt0 -71.3 -31.42 67.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.099 -0.64 . . . . 62.43 110.554 -177.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 4.2 m -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.04 0.448 . . . . 71.12 110.328 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 13.4 tt -73.84 -33.18 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.492 . . . . 70.35 110.673 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 HH21 ' HG3' ' A' ' 66' ' ' GLU . 51.6 ttp85 -62.6 -45.81 91.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.735 0.303 . . . . 71.34 111.143 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -69.94 -33.89 72.73 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.963 -0.384 . . . . 74.03 109.963 179.39 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 55' ' ' PHE . 18.1 tp -56.37 -49.34 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 74.53 110.618 172.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.8 t30 -55.25 -40.63 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.453 -0.794 . . . . 63.14 110.921 178.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -64.71 -38.68 91.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 70.23 110.907 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -67.06 -48.99 66.58 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.84 0.352 . . . . 73.22 110.747 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' HE1' ' A' ' 52' ' ' TYR . 64.3 mt -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 70.25 111.084 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HA ' HG21 ' A' ' 93' ' ' THR . 93.7 mtt180 -63.88 -40.69 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.281 . . . . 75.24 110.711 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -40.61 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.331 . . . . 61.13 110.432 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.12 94.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 72.24 111.588 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -74.27 -31.47 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 74.24 111.363 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.07 -39.26 94.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.84 -0.43 . . . . 73.05 109.84 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 7.1 m-20 -62.93 -47.56 82.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.495 -0.32 . . . . 70.4 110.247 172.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -55.63 -49.23 73.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 51.42 111.449 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 13.4 tt -70.14 -32.46 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 65.4 110.772 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -72.68 -25.87 61.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.956 -0.565 . . . . 61.43 110.404 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 10.8 mm-40 -94.49 0.54 55.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 71.55 111.384 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.72 27.16 73.63 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.524 -0.846 . . . . 73.21 111.186 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.13 -52.93 7.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.955 -0.758 . . . . 73.32 108.955 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.631 HG11 ' HG ' ' A' ' 44' ' ' LEU . 31.0 m -140.84 163.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.158 -0.928 . . . . 75.43 108.85 173.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.7 tt -125.55 70.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.084 0.945 . . . . 74.45 110.527 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -147.75 147.87 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.275 -0.875 . . . . 64.25 111.035 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -122.52 85.91 48.58 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.742 -0.663 . . . . 64.43 109.889 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 71.7 Cg_endo -75.29 -1.81 11.76 Favored 'Trans proline' 0 CA--C 1.52 -0.191 0 C-N-CA 123.004 2.47 . . . . 72.3 111.78 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HA ' ' A' ' 76' ' ' ARG . 9.9 p -84.95 7.49 20.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.269 -0.878 . . . . 72.25 111.509 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.499 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 63.9 t80 -85.31 159.46 20.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.864 -0.791 . . . . 71.11 108.864 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HG2' ' HD2' ' A' ' 49' ' ' ARG . 32.6 mmmt 68.22 18.87 9.21 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.677 0.391 . . . . 75.3 110.138 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.82 131.2 50.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.515 -0.766 . . . . 71.14 111.232 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.31 106.35 4.74 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.656 -0.702 . . . . 75.25 109.665 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 69.3 mt -79.57 72.1 6.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.632 0.729 . . . . 61.52 109.354 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.62 61.63 3.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.821 -1.082 . . . . 73.52 110.521 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.11 88.85 7.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.79 -0.641 . . . . 72.25 110.758 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.566 0.698 . . . . 74.44 109.227 176.322 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 43' ' ' LEU . 38.7 ttm . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.741 -0.466 . . . . 71.05 109.741 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt -86.86 147.06 5.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.2 0.524 . . . . 63.41 111.399 -173.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 49.5 p -77.38 161.34 28.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.797 -0.638 . . . . 71.12 110.833 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.61 -40.6 95.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 73.03 110.871 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.1 -56.55 19.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.036 0.446 . . . . 64.03 111.319 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.99 -34.24 77.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.518 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.05 -43.03 93.64 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.3 110.6 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.73 -45.87 81.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 73.45 110.457 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -67.76 -43.08 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 71.22 110.557 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.29 -51.01 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 73.44 110.491 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -52.92 -44.79 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.66 -0.7 . . . . 74.11 110.628 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.548 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 21.5 t80 -62.17 -57.95 9.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.72 -0.673 . . . . 60.32 111.032 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 tt0 -59.81 -34.75 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.686 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.41 -31.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 62.53 111.924 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -111.17 -58.05 2.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.452 0.538 . . . . 54.15 112.452 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 73.6 mmtt -86.83 -24.81 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.772 0.286 . . . . 71.11 111.772 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 19.8 tp -50.9 -53.79 43.92 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.917 0.71 . . . . 74.32 112.917 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.5 Cg_endo -64.81 -10.2 24.11 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.122 1.881 . . . . 71.11 113.656 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -104.35 -11.86 16.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.886 0.375 . . . . 61.13 110.941 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 24' ' ' THR . 33.8 m -116.64 -178.99 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.065 0.46 . . . . 61.21 111.579 -174.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -120.59 177.89 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.997 -0.547 . . . . 64.31 110.278 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.61 -30.22 71.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.37 . . . . 72.03 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -60.56 -33.39 72.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.241 0.543 . . . . 71.25 109.75 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 20' ' ' VAL . 1.6 m -80.48 -33.82 36.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.436 -0.802 . . . . 73.03 110.246 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.85 -47.52 80.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.968 -0.56 . . . . 75.21 111.216 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -62.66 -29.34 70.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.527 -0.306 . . . . 71.2 111.187 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -65.84 -52.21 52.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.89 0.376 . . . . 74.13 110.166 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HE1' HG22 ' A' ' 24' ' ' THR . 46.3 m-85 -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.575 . . . . 74.23 111.245 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.6 -35.86 79.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.687 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -66.57 -40.04 88.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.195 0.521 . . . . 41.24 109.913 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -62.98 -46.4 87.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.705 -0.679 . . . . 74.41 109.89 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 18.2 t80 -56.03 -38.34 70.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.216 -0.902 . . . . 71.13 111.305 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 95.5 mttt -61.73 -43.17 99.37 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 120.791 0.329 . . . . 75.14 111.288 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -71.63 -34.08 69.5 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.227 -0.589 . . . . 74.1 110.32 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.19 -51.02 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.863 -0.608 . . . . 60.24 110.702 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 19.7 ptmt -65.88 -26.9 67.84 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 120.748 0.308 . . . . 65.3 110.895 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.87 -49.28 78.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 75.35 111.056 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -87.16 -49.27 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.248 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 44.5 m-85 -101.3 77.37 1.79 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.073 -0.512 . . . . 43.24 110.091 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 86.0 mtt180 -82.73 -67.29 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.625 -0.716 . . . . 74.43 111.0 -174.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -102.09 18.31 21.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.827 0.822 . . . . 52.3 109.091 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.668 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 51.8 tptt -80.43 114.35 19.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.455 -1.248 . . . . 71.11 110.137 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 92.6 mt -67.6 151.0 48.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.832 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.55 -35.1 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.821 -0.627 . . . . 64.1 111.952 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -92.66 8.86 37.31 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.405 0.52 . . . . 65.35 112.405 -171.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.23 -1.23 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.831 -0.348 . . . . 63.45 111.422 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.465 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 17.8 mm -64.89 119.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.705 0.288 . . . . 75.03 111.066 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.69 149.76 22.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.681 -0.488 . . . . 64.23 109.681 173.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -70.21 -23.16 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.289 . . . . 74.33 111.261 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 17.2 p -69.57 -44.66 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.514 -0.312 . . . . 63.13 111.105 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 16.0 pt-20 -74.88 -30.58 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 64.12 110.293 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.59 ' HE1' HG21 ' A' ' 75' ' ' ILE . 78.7 t80 -61.28 -39.89 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.289 0.566 . . . . 71.14 109.737 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -43.57 98.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.333 -0.849 . . . . 73.31 109.444 176.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 50' ' ' THR . 66.1 mmtt -65.99 -33.61 76.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.968 -0.56 . . . . 32.45 110.637 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.6 t80 -61.5 -44.69 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.608 -0.724 . . . . 51.22 110.536 176.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.31 -39.46 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 61.4 111.412 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.15 -42.57 91.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 71.13 110.858 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -71.51 -38.16 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.954 -0.567 . . . . 74.12 110.385 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.07 -35.07 77.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.27 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -73.44 -5.51 67.77 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.741 -0.663 . . . . 54.55 112.766 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 101' ' ' SER . 83.5 mt -90.28 -21.04 22.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.962 0.41 . . . . 64.2 110.573 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 p -110.63 -16.49 13.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 65.13 112.209 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.426 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.8 m80 -136.14 162.65 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.149 -0.344 . . . . 74.05 111.23 -174.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.8 m -78.56 174.86 10.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 73.35 111.302 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' HG22 ' A' ' 68' ' ' ILE . 67.3 t80 -61.32 -45.39 94.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.244 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 30.1 tt0 -60.12 -34.42 73.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.929 0.395 . . . . 75.12 110.347 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 1.5 m -72.13 -44.43 63.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.826 -0.625 . . . . 73.21 111.123 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.2 tt -73.57 -34.48 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 73.35 110.85 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -62.99 -48.81 77.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 62.14 110.88 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.7 ptpt -66.11 -35.77 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.731 -0.387 . . . . 75.34 110.261 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 ' HB1' ' A' ' 31' ' ' ALA . 24.2 tp -54.98 -48.92 72.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.392 . . . . 62.41 110.298 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.5 t30 -56.59 -47.26 79.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 74.34 111.012 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 p -64.05 -31.91 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.997 -0.281 . . . . 43.32 111.531 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -67.35 -49.97 61.85 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.629 -0.508 . . . . 74.4 109.629 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.59 HG21 ' HE1' ' A' ' 52' ' ' TYR . 73.9 mt -62.37 -43.64 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.604 -0.726 . . . . 74.42 110.67 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -57.53 -45.22 85.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.524 . . . . 73.44 110.847 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -70.72 -31.58 68.47 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.698 -0.228 . . . . 63.12 111.282 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.72 92.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.877 0.37 . . . . 62.23 110.48 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.465 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 62.7 m-85 -72.91 -35.0 66.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.868 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 83' ' ' ILE . 25.5 t70 -63.55 -39.65 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 72.23 110.541 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 16.0 t70 -68.54 -49.52 58.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 74.13 109.944 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.41 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.858 -0.61 . . . . 71.22 111.724 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -71.76 -32.12 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 60.43 109.84 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.74 -36.3 83.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.619 -0.719 . . . . 74.24 109.909 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.2 mm-40 -86.83 -7.68 58.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.452 -0.795 . . . . 73.3 110.567 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.82 29.04 36.17 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.839 -0.619 . . . . 54.41 112.154 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -103.07 -48.97 3.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.602 0.239 . . . . 73.4 111.284 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 45' ' ' LYS . 3.7 p -99.99 155.62 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.683 -0.407 . . . . 54.34 110.113 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 tt -131.1 -27.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.329 -0.396 . . . . 63.33 111.151 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -101.83 114.82 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.721 0.296 . . . . 74.33 110.938 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -105.38 107.65 59.6 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.202 -0.666 . . . . 73.34 109.202 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.18 13.68 2.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.002 2.468 . . . . 75.43 113.238 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -75.45 2.35 11.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.482 0.549 . . . . 73.23 112.482 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.01 -41.36 91.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.077 0.465 . . . . 72.44 110.525 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 mmtp -106.97 41.97 1.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 44.23 110.774 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.89 63.66 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.819 -0.628 . . . . 71.23 110.615 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.959 ' HB3' ' HD2' ' A' ' 99' ' ' HIS . 34.8 mt-10 -75.57 112.31 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.566 -0.743 . . . . 71.23 111.242 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.3 mt -80.89 65.62 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.847 -0.615 . . . . 71.12 110.744 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.959 ' HD2' ' HB3' ' A' ' 97' ' ' GLU . 42.4 m-70 -93.67 85.9 5.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 74.4 111.29 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.44 92.2 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.602 -0.888 . . . . 31.41 108.602 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.692 ' HA ' ' HB2' ' A' ' 104' ' ' GLU . 19.9 m -70.7 -10.85 60.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.795 -0.639 . . . . 62.45 111.23 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 60' ' ' GLY . 24.7 t -60.69 -33.87 56.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.553 -0.536 . . . . 71.11 109.553 171.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.2 mt -130.52 33.85 4.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 65.2 110.647 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.692 ' HB2' ' HA ' ' A' ' 101' ' ' SER . 9.8 tp10 -62.8 95.29 0.07 Allowed 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.896 -0.779 . . . . 73.12 108.896 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -87.73 118.11 27.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.04 111.758 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.459 ' HD2' ' HG3' ' A' ' 104' ' ' GLU . 79.9 m-70 -134.57 -165.64 1.69 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.081 -1.081 . . . . 53.03 108.081 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -113.49 94.29 4.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.84 0.828 . . . . 73.33 110.664 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -97.75 71.08 2.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.258 -0.883 . . . . 62.44 109.488 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -131.32 142.39 50.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 74.35 110.539 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.6 p80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.631 -0.699 . . . . 72.42 110.027 178.718 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.607 ' HG3' HD22 ' A' ' 43' ' ' LEU . 2.8 tpt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.767 -0.457 . . . . 73.12 109.767 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.15 141.37 14.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.552 0.691 . . . . 75.03 111.37 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.15 153.44 26.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.107 -0.951 . . . . 62.33 110.57 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 28.7 t80 -59.33 -42.14 90.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.747 -0.206 . . . . 73.22 111.44 -176.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 75.44 110.706 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.06 -37.5 87.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.669 -0.696 . . . . 70.14 110.98 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -67.14 -46.23 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 74.12 110.921 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.08 -48.35 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.327 0.392 . . . . 70.31 110.742 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.5 -42.92 82.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 73.14 110.544 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.0 tt0 -63.45 -47.78 80.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 63.45 110.109 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.4 t90 -55.61 -46.61 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.669 -0.696 . . . . 74.21 110.158 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.48 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 16.8 t80 -60.33 -48.51 81.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 73.44 111.36 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.832 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.0 tt0 -66.6 -24.56 66.35 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.855 0.36 . . . . 63.13 111.527 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLN . 59.0 t -89.25 -26.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.109 0.481 . . . . 75.33 110.764 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.939 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -101.73 -55.22 2.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.744 0.646 . . . . 44.34 112.744 -167.743 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 3.2 mptp? -109.73 -12.59 14.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.751 0.648 . . . . 73.51 112.751 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD22 ' HG3' ' A' ' 13' ' ' GLU . 28.0 tp -46.88 -57.04 9.88 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 113.113 0.783 . . . . 52.3 113.113 -171.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 96.7 Cg_endo -79.05 -0.94 11.18 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 121.621 1.547 . . . . 55.34 113.187 -176.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -108.51 -27.78 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.767 0.284 . . . . 61.23 111.767 -174.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.767 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.3 m -96.88 142.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.402 0.62 . . . . 74.45 111.482 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.7 m -80.95 173.97 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.43 -0.804 . . . . 54.41 110.258 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.8 pm0 -56.45 -36.71 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 73.44 111.166 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -56.04 -41.95 75.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.141 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.767 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -79.53 -30.68 41.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 72.03 110.621 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 21' ' ' SER . 7.9 mtpm? -60.65 -38.81 86.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.309 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 8.5 mmt-85 -58.83 -38.14 77.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 70.14 110.7 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -60.53 -54.81 40.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 75.4 110.931 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -64.33 -43.23 95.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 73.55 112.023 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.597 0.237 . . . . 63.31 111.603 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.4 m -74.45 -37.65 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 72.2 109.986 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.51 -44.52 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 65.1 110.085 175.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -57.3 -45.92 83.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.46 -0.791 . . . . 75.33 111.943 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -67.05 -34.28 77.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.622 -0.431 . . . . 62.25 111.159 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -70.33 -33.5 71.57 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.909 0.385 . . . . 54.04 110.722 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.3 mt -67.0 -46.74 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 72.12 110.511 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.47 -36.65 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 64.52 110.498 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.43 -50.46 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.906 . . . . 70.24 111.682 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.31 -56.48 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.44 0.533 . . . . 73.25 112.44 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 77.4 m-85 -84.73 59.51 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.337 0.589 . . . . 70.51 111.299 -173.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -65.49 114.8 5.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.558 -0.746 . . . . 72.43 110.221 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.4 m170 65.08 21.44 12.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.034 -0.53 . . . . 73.3 111.12 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 9.6 tptp -80.2 118.82 22.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.035 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' A' ' 1' ' ' MET . 66.6 mt -71.4 149.81 45.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.876 -0.602 . . . . 73.01 110.005 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.06 -30.74 71.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.153 0.501 . . . . 73.34 111.047 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -91.72 4.91 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.932 -0.576 . . . . 74.51 111.193 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.34 76.36 1.72 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.539 -0.3 . . . . 54.52 110.442 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 37.1 mt -142.14 128.23 18.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.173 0.511 . . . . 63.33 110.039 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.717 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 88.5 mttt -89.53 154.33 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.508 -0.769 . . . . 62.25 110.449 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.56 HH21 ' HG2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -57.69 -37.98 74.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.625 -0.716 . . . . 72.5 111.127 176.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -28.93 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.31 . . . . 73.44 111.418 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 48.4 mt-10 -72.24 -35.74 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 74.22 109.614 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 31.5 t80 -72.05 -41.14 67.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.678 . . . . 75.12 109.776 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 95' ' ' LYS . 25.9 tm0? -56.05 -46.58 78.86 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.682 -0.69 . . . . 74.35 109.373 173.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -56.16 -53.43 57.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.272 -0.876 . . . . 65.44 110.502 176.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE2' HD21 ' A' ' 71' ' ' LEU . 83.5 t80 -54.1 -47.19 72.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.528 -0.76 . . . . 63.5 111.455 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 96' ' ' ALA . 76.5 mt -64.91 -39.19 93.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.422 -0.354 . . . . 74.53 111.379 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -61.9 -46.98 87.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.102 -0.239 . . . . 71.3 110.947 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 6.2 mm-40 -64.29 -37.36 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.331 0.586 . . . . 65.44 109.968 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.94 -41.39 78.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.654 -0.703 . . . . 75.01 110.902 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.77 75.38 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.019 -0.537 . . . . 75.33 112.795 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -82.56 -12.82 57.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.781 0.324 . . . . 73.51 110.923 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -141.41 18.22 2.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.074 0.464 . . . . 74.52 111.107 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -144.79 158.65 43.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 75.1 111.226 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -77.23 162.1 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.771 -0.65 . . . . 70.44 111.008 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -60.02 -42.3 94.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 71.53 111.696 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.5 -31.12 71.03 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.328 -0.549 . . . . 71.52 111.405 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -68.29 -44.03 76.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.875 0.369 . . . . 72.3 110.201 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -72.33 -33.36 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.281 -0.418 . . . . 55.11 110.203 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -57.33 -46.22 83.49 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.41 -0.359 . . . . 71.22 110.345 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -39.95 81.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.122 -0.49 . . . . 64.52 110.814 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.594 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.2 tp -53.23 -51.26 62.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.248 -0.433 . . . . 64.11 110.52 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 26.1 t30 -51.85 -53.51 39.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 74.13 111.438 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -59.03 -32.24 69.55 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.398 0.518 . . . . 62.33 112.398 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -69.63 -54.32 14.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.032 0.444 . . . . 74.15 110.093 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.524 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.2 mt -63.72 -41.51 92.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.649 -0.705 . . . . 73.43 110.797 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -59.77 -43.87 94.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.974 -0.557 . . . . 70.41 110.425 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.412 ' ND2' ' HZ2' ' A' ' 11' ' ' TRP . 65.3 t30 -66.0 -35.3 80.19 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.713 0.292 . . . . 73.55 110.534 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.98 72.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.076 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -69.13 -34.07 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 71.21 110.933 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 83' ' ' ILE . 12.9 t70 -65.42 -39.11 91.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 60.42 110.374 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.4 t70 -64.02 -47.81 78.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.029 0.442 . . . . 73.14 109.859 174.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.71 -45.75 81.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.623 -0.717 . . . . 70.35 111.686 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 80' ' ' ASP . 9.4 tt -70.76 -33.06 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.919 -0.312 . . . . 71.43 111.147 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -64.97 -27.58 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.389 . . . . 74.11 110.366 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 55.9 mm-40 -90.88 -6.43 54.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 71.43 110.796 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.67 26.77 70.69 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.422 -0.671 . . . . 73.22 111.422 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -84.6 -32.97 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.157 -0.522 . . . . 74.13 110.268 -175.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.84 164.97 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.216 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.3 pt -101.5 -32.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.838 0.681 . . . . 74.41 112.838 -173.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -137.13 173.32 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.983 0.42 . . . . 65.44 111.768 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -112.7 113.84 50.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 74.04 111.115 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 47' ' ' ILE . 96.6 Cg_endo -82.86 8.35 4.65 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.598 2.199 . . . . 73.32 111.016 172.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -79.28 -0.01 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.443 -0.799 . . . . 70.42 111.911 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 36.3 t80 -86.35 155.96 20.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.683 -0.858 . . . . 71.4 108.683 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . 28.4 mmtt 71.46 21.25 4.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 123.639 0.587 . . . . 71.2 109.521 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 56' ' ' LEU . . . -78.07 47.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.436 -0.802 . . . . 55.24 110.12 176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.02 106.81 3.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.435 -0.802 . . . . 72.14 109.836 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.434 HD22 HG12 ' A' ' 68' ' ' ILE . 59.0 mt -75.45 82.39 2.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.584 -0.734 . . . . 61.54 110.225 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -103.13 102.05 12.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.36 -0.837 . . . . 74.32 110.143 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.33 107.91 19.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.874 -0.603 . . . . 54.22 109.844 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -72.97 -7.72 52.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.163 0.506 . . . . 72.13 110.342 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.62 68.78 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.638 -0.71 . . . . 72.54 110.067 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.51 101.46 6.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.235 -0.893 . . . . 74.21 109.223 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.56 109.48 2.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.32 0.581 . . . . 73.0 110.733 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -127.44 114.91 18.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.818 -0.628 . . . . 75.4 110.253 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -90.93 85.33 5.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.653 -0.703 . . . . 65.13 109.602 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -105.33 93.97 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.432 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -63.82 127.41 31.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 74.41 110.049 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -95.4 145.65 24.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.166 -0.47 . . . . 73.4 109.916 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--O 1.243 0.757 0 CA-C-O 119.385 -0.341 . . . . 72.02 110.624 176.684 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' HD3' ' A' ' 45' ' ' LYS . 26.3 mmt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.835 0.35 . . . . 73.33 110.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.4 tt -148.6 159.31 6.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 63.43 109.808 -176.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -70.65 146.61 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 74.54 109.869 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 22.5 t80 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.526 0.203 . . . . 73.54 111.235 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.24 74.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.342 . . . . 65.34 111.292 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' OD2' HD11 ' A' ' 2' ' ' ILE . 29.6 t70 -71.98 -36.18 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.416 -0.356 . . . . 70.43 110.441 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HB2' HG23 ' A' ' 2' ' ' ILE . 81.9 t80 -64.41 -44.2 92.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.781 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.94 -46.28 89.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.725 0.298 . . . . 74.44 110.519 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.25 -46.29 77.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 63.53 110.355 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 61.4 tt0 -59.58 -46.33 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 70.11 110.383 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 55.5 t90 -56.46 -51.65 67.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 71.21 110.445 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 15.2 t80 -59.37 -43.76 92.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 71.31 111.212 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.718 ' HG3' HD22 ' A' ' 17' ' ' LEU . 39.4 tt0 -59.58 -36.84 77.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.365 -0.379 . . . . 73.1 111.5 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLN . 18.2 t -90.18 -22.05 6.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.026 0.441 . . . . 42.31 111.072 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -102.3 -47.17 4.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.576 0.584 . . . . 72.14 112.576 -166.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 73.4 mmtt -120.64 -18.95 7.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.178 0.436 . . . . 74.22 112.178 -171.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' HG3' ' A' ' 13' ' ' GLU . 24.4 tp -51.5 -54.93 33.8 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.782 0.66 . . . . 72.22 112.782 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 79.9 Cg_endo -83.87 21.18 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.898 1.732 . . . . 74.02 112.995 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.93 -56.66 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.837 0.31 . . . . 63.33 111.837 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.1 m -71.09 149.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.283 0.563 . . . . 74.51 112.091 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.1 m -67.55 165.95 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.47 -0.786 . . . . 64.42 110.787 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.47 -32.67 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.14 110.436 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -60.16 -32.46 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 62.44 110.523 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.541 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 62.9 m -87.1 -31.78 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 61.02 110.758 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -56.7 -39.01 73.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 74.42 111.019 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -70.29 -27.86 64.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 73.5 111.38 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -60.14 -51.13 70.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.849 -0.426 . . . . 71.55 109.849 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -63.91 -42.83 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.672 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -55.03 -49.95 70.28 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.068 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 m -66.75 -38.34 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.857 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.71 92.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 21.53 110.502 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.96 -35.21 74.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.53 -0.759 . . . . 74.4 111.096 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 59.5 mttm -60.46 -46.07 91.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.14 0.495 . . . . 74.14 110.305 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB3' ' HE1' ' A' ' 55' ' ' PHE . 85.4 m-70 -73.12 -34.23 66.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.639 -0.71 . . . . 74.12 111.166 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.86 -44.69 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.898 0.38 . . . . 60.02 110.187 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -63.5 -26.78 68.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 70.34 110.786 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.37 -51.73 27.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 71.4 111.268 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.38 -35.99 18.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.018 0.747 . . . . 74.23 113.018 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 82.7 m-85 -119.93 84.71 2.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.626 0.727 . . . . 63.34 111.937 -173.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -98.14 114.86 27.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.046 -0.979 . . . . 73.24 110.575 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 63.4 m170 68.9 5.19 4.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.045 0.538 . . . . 62.02 112.07 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 34.7 tttp -81.34 125.65 30.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.786 0.327 . . . . 70.01 110.967 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.55 148.9 40.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.949 -0.568 . . . . 75.32 110.567 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 2.6 pt? -67.13 -28.92 68.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.879 0.371 . . . . 64.02 111.057 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 17.8 pttp -81.06 -15.88 54.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 73.31 110.097 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -95.39 -3.96 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.422 -0.808 . . . . 74.12 110.027 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.09 118.91 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 63.53 110.811 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.9 mtpm? -66.66 120.99 14.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.998 -0.741 . . . . 71.31 108.998 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -67.86 -27.18 66.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.113 0.482 . . . . 72.33 110.286 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -33.34 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 71.21 110.44 172.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' ' 48' ' ' LYS . 10.0 tp10 -70.97 -38.45 72.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.208 -0.664 . . . . 75.22 109.208 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -64.13 -43.32 95.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.534 -0.757 . . . . 75.11 110.011 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 73.52 109.821 174.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.25 -42.53 86.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.213 -0.448 . . . . 51.32 111.089 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 71.2 t80 -56.32 -46.62 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.63 -0.714 . . . . 72.31 110.849 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -42.42 94.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.53 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 94.7 m-20 -60.58 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.686 -0.234 . . . . 71.34 111.14 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -62.26 -36.0 80.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.437 . . . . 75.03 110.325 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -68.87 -42.51 76.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.383 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.2 -11.02 79.25 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 116.101 -0.499 . . . . 74.44 112.995 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -87.9 -14.18 40.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 55.21 110.657 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 p -128.58 9.15 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.225 0.454 . . . . 65.12 112.225 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -147.28 175.18 10.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 74.25 110.482 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.4 t -88.23 169.77 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.44 -0.345 . . . . 74.31 110.606 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.8 t80 -64.32 -42.24 96.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 72.4 111.103 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 3.9 mm-40 -61.22 -35.74 78.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 75.42 110.869 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -68.89 -45.5 70.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.045 -0.525 . . . . 72.33 110.73 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.581 HG12 HD22 ' A' ' 98' ' ' LEU . 11.2 tt -73.32 -34.69 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.44 -0.345 . . . . 63.41 111.04 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -68.65 -41.14 79.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.096 -0.335 . . . . 71.13 110.096 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 13.5 mptt -55.46 -50.58 69.47 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.611 -0.514 . . . . 62.53 109.611 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 42.8 tp -53.79 -56.86 13.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.391 -0.822 . . . . 73.32 111.705 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.5 t30 -56.51 -39.53 73.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.792 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -37.71 85.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 75.31 110.995 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -70.47 -50.33 39.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 71.42 110.375 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 73.9 mt -63.79 -42.96 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.008 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.579 ' HA ' HG21 ' A' ' 93' ' ' THR . 40.9 ttt-85 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 74.34 110.291 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -66.16 -33.93 76.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 62.14 110.615 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -46.55 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.065 0.459 . . . . 52.1 110.475 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 54.2 m-85 -74.82 -33.75 62.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 72.03 111.474 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 32.0 t70 -66.42 -34.4 77.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.313 -0.403 . . . . 72.32 110.381 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 9.7 t70 -73.42 -38.25 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.267 0.556 . . . . 74.33 109.833 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.69 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 62.42 110.771 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.84 -30.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.166 0.508 . . . . 70.42 110.241 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.7 t-80 -57.84 -25.19 60.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.369 -0.832 . . . . 54.52 111.105 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -118.14 -4.22 11.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.795 0.331 . . . . 41.12 111.365 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.5 21.45 47.97 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.75 -0.738 . . . . 65.3 112.137 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.98 -24.23 59.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 64.34 110.086 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.58 143.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.783 . . . . 73.31 108.887 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.52 -31.59 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.754 0.312 . . . . 73.4 111.542 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -138.77 135.1 34.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.655 0.264 . . . . 61.41 110.482 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 m-20 -89.45 127.16 55.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 72.45 110.902 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 7.3 Cg_exo -74.83 8.26 2.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.244 2.629 . . . . 75.33 112.633 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 76' ' ' ARG . 7.1 p -81.85 5.92 17.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 41.42 110.686 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -76.24 141.1 41.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 74.41 110.457 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 tptp 72.83 4.04 4.86 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.328 0.651 . . . . 64.13 111.393 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -74.94 145.34 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 61.24 111.197 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -138.7 155.81 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 63.22 110.21 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HG12 ' A' ' 68' ' ' ILE . 85.7 mt -114.88 96.48 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.581 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -121.5 94.88 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 65.14 111.024 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.76 87.36 5.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.26 -0.645 . . . . 72.42 109.26 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.603 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 10.1 t -66.92 -6.01 14.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 70.32 111.598 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.7 t -68.86 -37.93 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 55.24 109.988 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 pp -115.96 2.41 13.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 71.42 111.498 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.603 ' HB3' ' HA ' ' A' ' 101' ' ' SER . 33.7 tt0 -81.31 92.43 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.35 0.595 . . . . 73.04 110.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -160.38 124.92 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.041 -0.982 . . . . 74.44 108.711 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -119.65 115.8 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.197 0.522 . . . . 72.32 111.255 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -135.14 117.65 15.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.425 -0.807 . . . . 65.43 108.907 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -107.88 132.8 53.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.161 0.505 . . . . 71.31 111.249 -174.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -85.61 -30.64 23.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.018 -0.734 . . . . 65.41 109.018 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.172 -0.922 . . . . 71.41 109.405 173.281 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.712 ' HG2' HD22 ' A' ' 43' ' ' LEU . 48.3 ttm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.921 0.391 . . . . 54.31 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.48 HD11 ' OD2' ' A' ' 6' ' ' ASP . 14.7 tt -104.6 164.67 3.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 75.44 110.856 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 23.0 p -76.56 149.59 36.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.063 -0.347 . . . . 73.42 110.063 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 24.9 t80 -66.46 -38.85 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.691 -0.232 . . . . 74.54 111.255 -175.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 63.52 111.062 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' OD2' HD11 ' A' ' 2' ' ' ILE . 38.2 t70 -68.95 -40.23 79.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 55.13 110.622 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -59.92 -46.31 89.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.956 -0.565 . . . . 73.2 110.511 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.59 -44.58 96.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.506 . . . . 74.01 110.975 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.91 -45.3 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 71.15 111.002 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.03 -46.23 85.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.206 0.527 . . . . 73.41 110.035 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' HZ2' ' ND2' ' A' ' 77' ' ' ASN . 79.2 t90 -55.19 -47.67 74.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.683 178.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 5.4 t80 -65.38 -50.34 65.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 64.35 111.905 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.77 -24.75 67.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.336 0.495 . . . . 73.15 112.336 -171.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.72 -23.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.819 0.303 . . . . 64.51 111.819 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -111.81 -31.37 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.468 0.914 . . . . 41.23 113.468 -169.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.1 mptp? -113.39 -16.77 12.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.452 -0.499 . . . . 72.24 112.308 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.3 tp -50.49 -59.02 8.06 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.059 0.762 . . . . 75.51 113.059 -171.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 87.5 Cg_endo -86.05 15.82 2.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.143 1.895 . . . . 31.21 113.367 -174.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -123.41 -51.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.791 -0.364 . . . . 73.42 111.805 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.65 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 25.3 m -79.53 151.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 74.33 111.682 -173.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 36.9 m -73.54 171.3 13.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 45.22 110.68 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -65.29 -25.38 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 71.34 111.398 -178.571 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 p -62.66 -42.64 99.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 44.14 110.0 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.65 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.4 m -73.32 -31.7 64.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.768 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 28.7 mmtm -56.58 -45.21 81.48 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 109.139 -0.689 . . . . 63.22 109.139 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -57.25 -43.68 83.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.177 -0.92 . . . . 74.34 110.911 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -57.85 -53.31 59.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.351 -0.386 . . . . 74.3 111.124 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -64.26 -41.12 97.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.708 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.44 -42.68 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.902 -0.319 . . . . 55.14 110.81 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 64.23 110.497 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.72 67.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.954 0.407 . . . . 42.43 110.499 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.57 -43.19 84.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 72.53 112.018 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -71.03 -32.5 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.849 -0.34 . . . . 50.2 111.673 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -74.86 -36.12 62.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.893 -0.323 . . . . 60.32 110.683 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.496 HG23 ' HD2' ' A' ' 39' ' ' PHE . 77.6 mt -62.43 -50.9 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 62.51 110.144 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -63.75 -27.78 69.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 72.41 110.632 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.755 -0.657 . . . . 75.54 111.174 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -86.79 -54.94 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.025 0.44 . . . . 75.34 111.514 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' HD2' HG23 ' A' ' 35' ' ' ILE . 45.9 m-85 -88.67 63.84 7.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.555 0.693 . . . . 75.44 111.106 -171.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -69.18 111.8 5.36 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.03 -0.986 . . . . 74.12 110.394 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.3 m170 64.85 25.16 12.83 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.93 -0.577 . . . . 74.14 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 132.25 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.856 0.36 . . . . 60.45 110.616 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD22 ' HG2' ' A' ' 1' ' ' MET . 15.5 mt -74.91 156.19 36.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.387 -0.597 . . . . 60.4 109.387 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.7 pt? -64.59 -32.78 74.58 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.09 -0.244 . . . . 73.35 111.64 -176.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 88' ' ' VAL . 15.5 ptmt -93.27 -1.85 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 72.21 110.596 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 36.3 t70 -92.41 -6.54 49.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.63 0.728 . . . . 61.25 109.391 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -67.59 98.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.003 -0.999 . . . . 73.4 109.575 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 51' ' ' GLU . 48.1 tttp -59.72 138.58 57.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.236 -0.653 . . . . 64.34 109.236 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.827 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -60.28 -42.72 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 73.34 110.653 -176.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -70.69 -27.87 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.915 -0.584 . . . . 65.41 110.934 178.683 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 10.4 tp10 -70.61 -38.12 73.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 70.55 109.759 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE1' HD13 ' A' ' 75' ' ' ILE . 58.4 t80 -65.18 -37.3 86.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.53 -0.759 . . . . 74.23 109.912 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 50' ' ' THR . 5.1 tp-100 -54.75 -57.23 12.35 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.651 -0.704 . . . . 62.24 110.02 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -51.4 -39.8 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.697 -0.683 . . . . 75.54 111.639 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 64.3 t80 -60.96 -51.49 69.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.386 -0.37 . . . . 65.31 110.634 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 68' ' ' ILE . 93.4 mt -65.99 -38.13 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.374 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.8 t-20 -53.97 -53.46 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.649 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.92 -40.35 91.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.06 -0.518 . . . . 71.14 110.881 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.35 -39.01 88.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.513 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.21 -15.6 81.32 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 116.128 -0.487 . . . . 55.15 112.687 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 79.0 mt -84.6 -13.26 52.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.697 0.284 . . . . 75.23 110.553 176.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 p -121.41 -0.47 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.106 0.41 . . . . 74.04 112.106 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -143.09 168.69 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.567 0.222 . . . . 61.15 110.616 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -82.29 172.81 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.361 -0.381 . . . . 65.32 111.19 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 65.2 t80 -61.27 -47.5 85.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 74.23 111.724 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 69' ' ' ARG . 9.7 mm-40 -60.05 -33.88 72.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.737 0.273 . . . . 75.12 111.737 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -48.36 69.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 73.13 110.677 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' LEU . 11.7 tt -72.61 -34.05 46.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.242 -0.436 . . . . 65.32 110.384 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 71.4 ttt180 -60.99 -50.36 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 75.34 110.357 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.26 -47.66 82.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 73.52 110.725 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 32.9 tp -53.17 -54.7 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 62.52 111.105 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 26.5 t-20 -62.64 -33.49 75.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 74.01 111.197 -178.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -61.21 -47.92 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.439 -0.346 . . . . 73.24 111.032 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.76 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.97 0.415 . . . . 73.33 110.097 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.43 HD13 ' HE1' ' A' ' 52' ' ' TYR . 83.4 mt -62.94 -42.07 95.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.477 -0.783 . . . . 63.33 111.017 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 64.3 mtt180 -59.45 -48.52 81.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.849 0.357 . . . . 71.14 110.438 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' ND2' ' HZ2' ' A' ' 11' ' ' TRP . 65.2 t30 -66.68 -36.1 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.858 -0.61 . . . . 54.11 110.924 -175.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.85 97.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.429 . . . . 74.13 110.507 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.04 -30.37 62.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 64.54 111.217 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 83' ' ' ILE . 38.3 m-20 -56.39 -44.32 80.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 62.41 110.403 174.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -68.89 -35.21 76.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.423 -0.353 . . . . 72.15 110.742 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -68.45 -44.18 75.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 74.34 111.243 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 80' ' ' ASP . 13.6 tt -67.81 -28.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 70.31 111.231 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -54.88 -32.04 60.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.728 0.299 . . . . 73.12 110.374 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.62 -32.54 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.403 0.621 . . . . 73.24 109.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.08 25.83 5.72 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.48 -0.782 . . . . 74.32 111.714 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.48 ' CE1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -59.81 -55.37 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.299 0.571 . . . . 73.41 109.77 179.654 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' HB3' ' A' ' 45' ' ' LYS . 39.4 t -120.5 122.77 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.757 -0.656 . . . . 65.14 109.296 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.1 tt -78.6 -32.54 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.447 . . . . 75.11 111.371 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -125.16 102.57 7.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.858 -0.423 . . . . 71.02 109.858 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.92 143.63 87.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 73.43 110.946 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 36.9 Cg_exo -62.3 -9.45 15.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.299 2.666 . . . . 75.15 113.033 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 p -75.74 77.84 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.24 0.543 . . . . 74.43 110.686 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.827 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 55.1 t80 -87.48 -78.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 73.35 109.678 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -112.8 84.7 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.634 0.731 . . . . 71.42 109.602 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.42 94.26 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.114 -0.948 . . . . 55.42 110.148 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -100.01 108.91 21.22 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.46 -0.791 . . . . 73.25 110.46 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.51 43.3 0.96 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.587 -0.733 . . . . 63.02 109.951 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -85.2 81.95 8.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.021 -0.991 . . . . 75.33 110.541 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 107.86 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.605 . . . . 73.13 110.591 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.476 ' HA ' ' HG2' ' A' ' 104' ' ' GLU . 73.9 m -74.87 0.48 15.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 70.03 111.95 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.54 -29.16 33.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 75.44 109.656 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.76 1.33 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 75.25 112.018 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 101' ' ' SER . 13.8 pt-20 -108.57 136.49 48.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.887 -0.412 . . . . 54.23 109.887 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -115.24 176.74 4.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.017 -0.538 . . . . 51.4 110.692 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -143.76 117.14 9.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.34 109.786 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -95.99 174.73 6.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.9 0.381 . . . . 74.52 110.758 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.77 166.74 13.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.008 -0.542 . . . . 70.41 109.748 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -136.77 -29.04 0.95 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.181 0.515 . . . . 75.41 109.722 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.242 0.7 0 CA-C-N 115.336 -0.847 . . . . 74.4 108.815 -179.715 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.3 mmm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.911 0.386 . . . . 54.02 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -138.89 159.19 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.12 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.1 p -77.36 152.86 34.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.308 -0.256 . . . . 63.01 110.308 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 17.5 t80 -63.83 -44.14 94.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.346 -0.388 . . . . 73.14 110.812 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.43 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 61.41 111.288 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.48 -39.29 77.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 71.22 110.914 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.8 -42.29 99.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 72.04 110.785 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.24 -44.74 88.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 64.5 110.394 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.04 -42.88 72.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.695 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.03 0.443 . . . . 72.21 110.114 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.587 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 73.0 t90 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.863 . . . . 72.23 110.571 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.581 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 34.0 t80 -60.44 -50.76 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.479 -0.328 . . . . 73.34 111.213 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.78 -34.67 54.35 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.95 0.781 . . . . 74.35 111.802 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.3 t -92.27 -33.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 42.11 111.786 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -98.7 -54.35 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.164 0.802 . . . . 72.43 113.164 -163.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.9 mmtt -104.79 -11.59 16.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.088 0.403 . . . . 73.2 112.088 -168.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.645 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 13.0 tp -49.61 -56.61 15.73 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 112.723 0.638 . . . . 74.45 112.723 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 98.9 Cg_endo -82.95 12.81 2.82 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.982 1.788 . . . . 75.32 113.63 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -120.46 -23.62 6.07 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.624 -0.431 . . . . 74.12 111.727 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 26.1 m -98.8 158.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.394 . . . . 75.33 111.46 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 p -86.05 173.4 9.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 73.54 110.629 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.671 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -62.76 -36.61 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 63.43 111.358 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -61.8 -36.81 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.055 0.455 . . . . 71.33 110.113 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.649 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -71.35 -34.56 70.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 61.02 110.05 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 3.6 mmmm -55.33 -46.76 76.33 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.432 -0.581 . . . . 62.14 109.432 173.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 26' ' ' ARG . 15.5 mmm-85 -58.42 -41.8 85.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.593 -0.73 . . . . 72.42 111.335 178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -62.15 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 73.3 111.119 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.46 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 37.0 m-85 -65.18 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.552 -0.294 . . . . 72.31 111.006 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 46.8 mt-10 -56.42 -54.27 47.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.783 -0.451 . . . . 61.21 109.783 172.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.1 t -54.79 -48.2 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.412 -0.813 . . . . 51.12 110.287 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -56.02 26.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 43.15 111.001 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -57.19 -44.81 83.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 63.22 111.826 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 51.4 mtpt -69.28 -37.4 77.83 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.648 0.261 . . . . 74.32 111.407 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -74.04 -34.83 64.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 119.961 -0.696 . . . . 72.01 110.352 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.61 -51.06 76.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.014 -0.539 . . . . 74.01 110.784 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 14.2 ptmm? -64.53 -26.24 68.34 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.597 0.237 . . . . 64.24 110.945 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.3 -49.94 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 72.23 111.324 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.63 -33.49 58.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 72.13 110.89 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 60.0 m-85 -121.31 92.41 3.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.382 -0.599 . . . . 74.32 109.382 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 26.2 mmt180 -72.8 -54.08 9.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.671 -0.695 . . . . 64.03 111.748 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -130.07 23.41 5.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.377 0.608 . . . . 61.25 110.221 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' PHE . 5.4 tptp -66.32 129.29 39.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.211 -0.904 . . . . 72.21 109.675 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 86.5 mt -70.87 159.09 35.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.748 0.308 . . . . 65.4 110.557 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 4' ' ' PHE . 3.1 tm? -58.45 -35.7 72.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.853 -0.612 . . . . 55.11 110.38 -177.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 7.43 46.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 75.44 111.379 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 26.0 t70 -100.27 -0.61 38.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.873 0.368 . . . . 60.13 110.744 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 26.2 mm -75.01 115.2 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 72.01 109.791 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 93.4 mttt -86.65 173.38 9.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.854 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.818 ' HG3' ' HB3' ' A' ' 94' ' ' TYR . 0.6 OUTLIER -69.16 -49.19 58.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.631 . . . . 73.13 110.944 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 p -71.0 -32.28 69.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.075 -0.511 . . . . 63.44 111.738 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 75.2 mt-10 -63.72 -47.33 81.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.573 -0.529 . . . . 75.14 109.573 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.717 ' HE1' HG21 ' A' ' 75' ' ' ILE . 46.3 t80 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.028 -0.987 . . . . 73.32 110.226 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 74.52 110.709 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -39.52 94.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.406 -0.361 . . . . 73.41 110.53 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.9 t80 -59.13 -46.96 86.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 73.42 110.604 177.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.25 -43.73 93.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.715 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-20 -59.74 -46.06 90.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 61.21 111.322 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.73 -24.05 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 74.45 111.109 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -77.28 -39.13 49.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.915 0.388 . . . . 73.44 110.16 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -78.75 3.33 64.61 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.807 -0.633 . . . . 74.14 112.897 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 101' ' ' SER . 94.6 mt -86.17 -17.8 33.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 42.23 110.421 176.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -129.17 7.25 5.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.359 . . . . 54.44 111.695 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.23 151.77 49.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.523 -0.308 . . . . 74.21 111.148 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -73.46 168.27 19.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.009 -0.541 . . . . 41.34 110.872 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 67.6 t80 -63.74 -44.41 93.61 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.347 0.499 . . . . 74.41 112.347 -172.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.345 -0.542 . . . . 75.22 111.142 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 m -66.12 -43.07 88.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.55 -0.296 . . . . 73.03 111.044 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG12 HD22 ' A' ' 98' ' ' LEU . 12.7 tt -69.78 -32.89 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 110.05 -0.352 . . . . 42.34 110.05 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 13.5 mtp180 -57.26 -48.96 77.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.457 -0.338 . . . . 73.24 110.844 174.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -55.01 -48.37 73.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.328 -0.397 . . . . 74.52 110.397 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 55' ' ' PHE . 34.6 tp -52.74 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 70.14 111.45 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.4 t30 -57.65 -38.85 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 44.11 110.888 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -60.89 -41.64 96.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.697 -0.683 . . . . 75.43 111.317 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.72 -48.82 65.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 70.52 110.614 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.717 HG21 ' HE1' ' A' ' 52' ' ' TYR . 61.5 mt -63.47 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.705 -0.68 . . . . 73.31 111.037 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.22 -36.01 80.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.807 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.49 -37.99 68.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 75.32 110.553 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.5 85.91 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.35 0.595 . . . . 64.4 110.545 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.61 -31.09 72.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.932 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HA ' HG22 ' A' ' 83' ' ' ILE . 17.8 t70 -62.21 -46.01 90.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 63.24 110.847 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -40.68 88.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.103 0.478 . . . . 73.43 110.346 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.17 -51.23 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 54.4 111.777 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.1 tt -66.44 -32.42 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 75.14 111.582 -174.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -65.79 -14.17 60.87 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.713 0.264 . . . . 65.03 111.713 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -112.5 -33.78 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 74.03 110.569 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.2 6.38 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.182 -0.767 . . . . 64.12 111.182 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 38.9 t80 -71.1 -30.47 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.246 -0.477 . . . . 71.35 110.439 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.05 156.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.767 -0.651 . . . . 53.45 110.413 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.0 mm -79.33 -61.73 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.106 0.479 . . . . 71.4 110.718 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -146.09 134.75 22.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 65.42 110.299 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.02 141.77 71.65 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 71.52 111.003 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.717 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 83.5 Cg_endo -86.56 4.37 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.912 2.408 . . . . 74.15 112.388 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 p -75.82 8.67 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.008 -0.542 . . . . 73.41 112.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.818 ' HB3' ' HG3' ' A' ' 49' ' ' ARG . 91.6 t80 -61.54 -55.96 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.05 0.452 . . . . 75.32 109.821 175.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.86 77.1 4.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.273 0.558 . . . . 61.23 109.963 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.21 33.55 3.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.287 -0.87 . . . . 34.14 110.149 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.6 114.49 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.783 -0.644 . . . . 73.13 110.277 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.508 HD13 ' HG2' ' A' ' 69' ' ' ARG . 76.4 mt -79.39 96.08 5.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.227 -0.442 . . . . 62.15 110.663 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -101.57 90.77 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 73.04 111.0 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.43 93.26 8.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.525 . . . . 44.34 109.793 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 61' ' ' LEU . 24.8 t -85.61 9.17 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.59 . . . . 70.32 111.409 -173.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 60' ' ' GLY . 86.7 t -63.33 -38.66 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.355 0.597 . . . . 74.24 109.599 173.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.41 95.1 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.507 -0.769 . . . . 73.34 109.965 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.84 -53.54 8.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.584 -0.525 . . . . 73.02 109.584 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -128.18 162.01 27.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 71.25 110.071 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -102.09 151.5 22.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.318 -0.401 . . . . 70.43 110.582 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -70.24 113.11 7.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.747 -0.464 . . . . 72.42 109.747 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.43 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 71.43 109.984 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -164.43 155.99 15.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.326 -0.852 . . . . 44.44 108.83 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.365 -0.826 . . . . 73.44 110.088 178.691 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.736 -0.468 . . . . 73.52 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tp -103.51 150.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 64.43 111.278 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -74.17 147.05 42.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.571 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -60.11 -45.98 91.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.729 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.039 0.447 . . . . 52.03 111.403 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.97 -46.21 88.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.881 -0.6 . . . . 74.24 111.525 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -64.45 -38.43 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 61.31 110.545 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.07 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.772 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.95 -42.46 73.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.868 -0.333 . . . . 64.15 110.402 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.2 tt0 -62.12 -40.06 94.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 74.35 110.163 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 56.7 t90 -58.04 -50.25 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 73.42 110.108 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.47 -42.25 91.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.44 111.094 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.6 tt0 -59.5 -37.1 77.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 75.31 111.483 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' GLN . 28.0 t -90.66 -19.41 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.491 . . . . 74.42 111.228 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -101.84 -60.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -168.029 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.3 mmtt -106.83 -19.97 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.885 0.328 . . . . 73.34 111.885 -169.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 35.0 tp -46.66 -56.0 12.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 113.315 0.858 . . . . 63.01 113.315 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 85.9 Cg_endo -88.66 17.91 1.58 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.82 1.68 . . . . 73.32 113.725 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.1 -31.89 2.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.422 0.527 . . . . 71.14 112.422 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.0 m -91.11 160.06 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.5 . . . . 73.03 111.782 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 13.5 p -87.82 171.33 10.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 54.54 110.306 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.52 -36.81 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.103 0.409 . . . . 74.42 112.103 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -60.27 -51.19 70.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 55.55 110.594 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.715 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 12.4 m -66.58 -37.3 84.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.991 -0.549 . . . . 74.52 110.621 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 9.4 mtpm? -57.31 -51.56 68.87 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.302 -0.408 . . . . 73.43 110.453 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 mtm180 -63.31 -28.83 70.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 74.13 111.629 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -61.24 -52.33 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.901 -0.32 . . . . 73.15 110.294 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -62.67 -45.62 91.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 61.05 111.213 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 46.3 mt-10 -64.06 -42.72 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.637 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 26.3 m -68.17 -37.94 81.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 62.53 110.506 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.2 93.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.148 0.499 . . . . 62.34 109.707 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.22 -32.93 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.223 -0.899 . . . . 75.22 110.915 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 40.8 mmtm -62.92 -47.12 84.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.0 0.429 . . . . 75.21 110.254 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 65.54 110.391 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -67.78 -39.57 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 64.05 110.037 175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.676 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.7 tppt? -59.71 -30.03 68.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.503 -0.772 . . . . 72.44 111.075 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.56 -42.5 16.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 70.22 111.861 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -86.73 -54.79 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.901 0.334 . . . . 72.42 111.901 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.607 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 71.5 m-85 -96.87 58.32 1.61 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.146 0.498 . . . . 75.21 110.442 -175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 85.9 mtt180 -64.82 -57.49 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 73.4 111.353 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -113.04 23.15 13.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.198 0.523 . . . . 70.32 110.47 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.607 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 37.8 tptt -83.98 120.47 26.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.666 -0.697 . . . . 74.55 109.87 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 88.0 mt -70.24 151.89 44.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 70.51 111.033 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.61 -35.74 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.652 . . . . 72.43 110.9 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -81.7 -10.08 59.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.631 . . . . 73.53 111.579 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 4.2 t70 -99.05 7.58 45.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.538 . . . . 71.21 110.646 -172.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -80.02 97.39 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.378 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 9.0 mptt -84.13 160.48 20.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.688 -0.486 . . . . 75.04 109.688 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.956 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 97.8 mtt180 -61.96 -38.81 89.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.109 -0.496 . . . . 73.03 111.16 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -69.19 -40.79 77.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 74.33 111.309 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 5.4 mm-40 -59.6 -48.96 79.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.639 0.733 . . . . 64.24 109.686 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 16.1 t80 -62.99 -39.61 95.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.583 -1.19 . . . . 75.12 110.81 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.94 -42.05 85.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.403 . . . . 72.42 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.05 -37.32 71.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.989 0.424 . . . . 74.23 110.907 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.1 t80 -64.7 -43.5 93.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 63.24 110.403 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HB3' HD11 ' A' ' 68' ' ' ILE . 92.6 mt -68.56 -37.19 79.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 61.23 111.283 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.9 m-20 -55.22 -48.81 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 73.42 110.032 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.8 -40.02 93.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.52 0.676 . . . . 71.12 110.512 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 20.0 t80 -71.62 -36.22 70.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.773 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.88 -7.91 87.37 Favored Glycine 0 CA--C 1.517 0.163 0 C-N-CA 121.386 -0.435 . . . . 61.24 112.575 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.8 mt -90.15 -10.9 42.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 74.31 110.715 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.7 p -119.33 -38.21 3.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.49 . . . . 72.22 112.09 -176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -108.91 170.86 7.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 74.33 111.385 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -84.49 -179.95 7.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.756 -0.656 . . . . 74.31 111.054 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.69 ' H ' HD21 ' A' ' 103' ' ' LEU . 91.1 t80 -68.36 -47.34 67.69 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 20.1 tt0 -64.91 -36.33 84.03 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.096 -0.642 . . . . 75.13 110.375 -175.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -61.17 -48.32 82.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 73.14 110.755 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 56' ' ' LEU . 12.1 tt -72.74 -34.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 72.22 110.444 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' A' ' 98' ' ' LEU . 31.6 ttt-85 -60.34 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.694 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.586 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 22.3 mtpt -69.83 -36.72 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.913 -0.585 . . . . 75.52 110.844 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD21 ' CE2' ' A' ' 55' ' ' PHE . 27.9 tp -54.34 -53.92 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.089 0.471 . . . . 53.13 110.122 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 8.3 t30 -58.43 -36.91 74.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.27 -0.877 . . . . 63.44 111.033 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -63.92 -47.48 80.39 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.517 -0.31 . . . . 64.21 110.463 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.77 -48.85 78.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.063 0.459 . . . . 72.4 110.21 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.77 -40.89 90.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 71.4 110.447 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 76' ' ' ARG . 20.7 ttp85 -57.49 -48.26 79.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.814 -0.63 . . . . 74.43 110.826 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.39 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 62.34 110.834 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.86 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 32.11 111.168 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.11 -38.53 82.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 72.41 110.708 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.6 t70 -64.39 -37.69 88.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.965 -0.561 . . . . 64.05 110.016 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 14.1 t70 -59.48 -54.39 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 71.12 110.071 173.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -57.54 -50.15 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.524 -0.762 . . . . 53.12 111.574 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.5 tt -65.59 -35.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 60.01 111.114 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -67.09 -29.36 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.293 0.568 . . . . 73.34 110.296 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 29.5 mm-40 -94.66 -1.96 52.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.797 -0.638 . . . . 72.24 110.675 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.63 21.56 63.78 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 63.1 112.4 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.52 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 2.4 t80 -73.68 -50.97 18.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.248 0.547 . . . . 72.54 109.619 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.0 -174.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.534 -0.757 . . . . 73.14 110.398 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 89' ' ' ILE . 10.9 tp -138.01 19.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.036 0.922 . . . . 74.12 108.919 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -94.97 120.73 35.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.149 -0.932 . . . . 75.21 111.13 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -123.1 90.68 50.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 121.099 0.476 . . . . 55.41 110.358 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.956 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 91.6 Cg_endo -87.3 -3.67 7.74 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.816 2.344 . . . . 74.34 112.46 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 p -74.71 -15.11 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.979 0.733 . . . . 72.42 112.979 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.99 -53.8 53.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.827 0.346 . . . . 71.5 111.303 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 95' ' ' LYS . 41.2 tptt -87.58 9.6 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.2 0.524 . . . . 54.54 110.707 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.41 94.6 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.634 -0.712 . . . . 62.33 110.325 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.9 119.38 32.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.408 0.623 . . . . 64.45 109.962 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 69' ' ' ARG . 47.6 mt -81.13 76.27 8.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.462 -0.79 . . . . 75.14 110.734 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -96.73 103.49 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.0 -0.545 . . . . 73.03 110.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.21 10.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 64.35 110.026 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 t -65.41 -18.78 65.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.737 -0.665 . . . . 75.01 110.42 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.2 -33.12 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.648 -0.705 . . . . 75.14 111.677 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.69 HD21 ' H ' ' A' ' 65' ' ' TYR . 1.7 pp -130.85 26.51 4.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 61.21 112.591 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -69.58 103.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 74.35 110.462 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -103.4 130.63 50.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.469 -0.787 . . . . 61.24 110.156 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -83.93 -75.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.447 -0.342 . . . . 72.34 110.487 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 173.44 154.91 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.77 -0.826 . . . . 74.33 108.77 -175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -56.96 113.71 1.8 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.272 -0.64 . . . . 73.34 109.272 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -142.34 154.83 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.398 0.618 . . . . 74.32 112.084 -168.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 . . . . . 0 C--O 1.247 0.972 0 N-CA-C 108.424 -0.954 . . . . 70.41 108.424 163.658 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE3' ' O ' ' A' ' 2' ' ' ILE . 1.5 tmm? . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.073 -0.343 . . . . 75.51 110.073 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' O ' ' HE3' ' A' ' 1' ' ' MET . 10.1 tp -80.75 143.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.219 0.533 . . . . 73.43 111.378 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -71.94 147.9 46.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.584 -0.734 . . . . 43.13 110.724 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -59.91 -40.21 88.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.51 110.946 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.21 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 63.44 111.378 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.96 -29.65 68.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.956 -0.566 . . . . 64.43 111.184 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -70.4 -43.19 70.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.587 -0.279 . . . . 74.12 110.351 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.57 -50.59 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 71.21 110.699 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . 50.9 t80 -66.73 -42.06 86.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 65.21 110.745 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.9 tt0 -59.55 -52.77 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 72.32 110.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -54.27 -45.32 72.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.65 -0.704 . . . . 73.13 111.006 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 25.8 t80 -64.34 -50.93 65.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.001 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 11.2 tm-20 -59.23 -34.45 72.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.941 -0.572 . . . . 74.31 110.922 -175.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 10' ' ' GLN . 94.2 t -78.21 -34.93 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.474 -0.33 . . . . 50.4 111.799 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -111.12 -68.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.137 0.791 . . . . 73.3 113.137 -169.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 60.2 mmtt -79.17 -18.51 52.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.647 0.24 . . . . 44.03 111.647 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.725 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 30.5 tp -43.14 -59.64 3.0 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.871 1.063 . . . . 75.1 113.871 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.4 Cg_endo -78.88 -16.67 12.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.008 1.805 . . . . 61.31 113.319 -172.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -92.53 -30.38 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.587 -0.278 . . . . 75.21 111.397 -171.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 34.1 m -79.89 158.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.939 0.4 . . . . 70.42 111.498 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.543 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 6.2 t -77.03 172.77 12.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.624 . . . . 74.3 110.104 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.67 -46.53 85.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 70.13 109.932 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 p -60.96 -46.08 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 31.13 110.732 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 21.1 m -56.92 -39.59 74.75 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.333 -0.394 . . . . 64.5 110.922 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.0 mtpm? -52.95 -54.17 38.89 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.154 0.502 . . . . 74.15 110.398 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 19.8 mmt180 -66.09 -27.03 67.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.131 -0.94 . . . . 75.3 111.215 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -59.14 -43.91 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.893 -0.41 . . . . 64.32 109.893 170.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -66.4 -44.19 83.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 75.11 110.766 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -55.33 -45.49 76.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.933 0.397 . . . . 61.13 111.034 175.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -65.69 -39.45 91.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.644 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.75 73.77 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.063 -0.517 . . . . 74.04 110.096 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 33.4 t80 -55.23 -44.96 75.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 72.34 112.18 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -68.41 -38.93 81.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.942 -0.303 . . . . 64.55 110.984 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -68.95 -40.3 79.02 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.81 0.338 . . . . 74.32 110.556 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.32 -46.66 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.237 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.0 ttmt -60.22 -42.77 95.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 64.11 111.525 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.25 -35.7 81.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 73.23 111.629 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.61 -53.87 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.135 0.493 . . . . 72.55 111.584 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.759 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 69.7 m-85 -96.6 51.22 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 71.21 110.194 -175.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 74.1 mtm-85 -51.23 -45.41 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.399 -0.819 . . . . 73.24 112.625 -173.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -130.65 35.79 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.13 0.49 . . . . 75.1 110.642 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 1.3 tpmt? -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.926 -0.579 . . . . 73.15 109.766 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 79.0 mt -71.71 156.67 39.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.394 -0.366 . . . . 63.24 111.152 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.29 -47.46 75.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.679 -0.691 . . . . 73.22 111.58 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.788 ' HA ' HG23 ' A' ' 88' ' ' VAL . 15.0 pttp -87.17 1.11 54.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.02 -0.536 . . . . 63.04 111.338 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 13.3 t70 -103.82 9.29 37.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.451 0.643 . . . . 72.23 110.403 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 42' ' ' LYS . 50.4 mm -69.18 124.28 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.411 -0.813 . . . . 61.51 110.479 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.971 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 20.4 mtpp -95.16 144.36 25.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.378 -0.601 . . . . 70.31 109.378 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -60.26 -34.84 74.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 62.33 111.774 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -70.43 -40.96 73.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.681 0.277 . . . . 62.3 111.401 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.971 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 3.0 mm-40 -63.04 -41.15 99.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.543 0.687 . . . . 71.05 109.484 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HE1' HD13 ' A' ' 75' ' ' ILE . 69.6 t80 -66.84 -35.86 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.44 110.39 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -61.83 -49.59 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 75.44 110.071 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -67.18 -30.9 70.98 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.805 0.336 . . . . 44.43 110.839 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.93 -47.51 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.011 -0.54 . . . . 73.51 110.195 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 68' ' ' ILE . 94.1 mt -65.31 -35.92 82.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 73.13 110.93 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -64.14 -37.63 88.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.215 -177.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.19 -39.58 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.538 . . . . 75.22 110.451 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 22.4 t80 -66.45 -34.19 77.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 63.21 110.198 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -75.33 -10.63 84.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.125 -0.56 . . . . 61.2 112.716 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.1 mt -91.37 -21.53 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 75.31 110.679 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -105.42 -28.68 10.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.948 -0.569 . . . . 52.31 111.851 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -126.4 166.01 17.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.094 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -72.02 163.14 28.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.362 -0.381 . . . . 74.42 110.578 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 83.8 t80 -60.78 -33.86 73.62 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.07 -0.514 . . . . 74.25 111.143 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.03 -38.67 86.31 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.612 -0.435 . . . . 65.33 110.179 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -64.64 -49.87 69.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.792 -0.64 . . . . 53.04 110.609 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.1 tt -65.75 -33.72 65.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.462 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 6.9 ttm180 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.097 0.475 . . . . 73.24 110.174 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -69.69 -37.66 76.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.833 -0.621 . . . . 73.41 111.093 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 tp -52.27 -54.93 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.319 0.581 . . . . 74.23 109.873 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.611 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 14.9 t-20 -57.98 -37.35 74.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.046 -0.979 . . . . 75.42 111.247 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 t -63.02 -42.67 99.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.716 0.293 . . . . 71.14 111.095 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.9 -45.12 90.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.346 0.593 . . . . 74.22 109.875 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.511 HD13 ' HE1' ' A' ' 52' ' ' TYR . 78.2 mt -63.25 -34.71 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.176 -0.92 . . . . 74.44 111.056 -178.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 52.5 mtt180 -60.7 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.678 -0.237 . . . . 73.34 110.48 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -68.19 -33.91 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 52.14 110.645 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.71 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 65.04 110.584 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -65.25 -38.54 90.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 74.13 110.908 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' HA ' HG22 ' A' ' 83' ' ' ILE . 8.5 t70 -64.33 -40.38 95.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.094 0.473 . . . . 64.14 110.834 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -43.71 92.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.003 -0.544 . . . . 73.35 109.875 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.54 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 64.12 112.071 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' A' ' 80' ' ' ASP . 14.8 tt -65.86 -31.81 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.758 0.313 . . . . 74.44 110.867 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -64.98 -21.65 66.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.118 0.485 . . . . 64.13 110.167 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.45 -10.17 33.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 75.41 111.052 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.26 21.37 75.76 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 110.992 -0.843 . . . . 55.54 110.992 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -84.42 -24.95 29.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.991 -0.605 . . . . 75.23 109.932 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.788 HG23 ' HA ' ' A' ' 45' ' ' LYS . 9.9 p -134.21 164.03 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.594 -0.73 . . . . 62.23 109.288 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 pt -90.22 -167.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.97 0.414 . . . . 52.54 111.369 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -51.97 144.58 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.196 -0.911 . . . . 72.22 111.303 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 22.0 t-20 -73.8 120.94 83.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.214 -0.903 . . . . 73.05 112.192 -167.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 36.4 Cg_endo -65.84 -15.24 48.21 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.362 2.708 . . . . 62.21 111.905 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -67.84 -4.1 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.718 0.771 . . . . 62.31 110.506 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -54.88 -36.15 64.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.444 -0.798 . . . . 74.52 111.208 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.809 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -106.88 26.63 9.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 62.01 110.185 -176.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.89 107.62 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 45.01 111.85 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 50.7 mt-10 -103.09 114.79 29.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 73.13 110.416 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 56' ' ' LEU . 75.5 mt -88.61 93.06 9.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.759 -0.46 . . . . 72.2 109.759 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 97' ' ' GLU . 61.0 m-70 -99.45 82.66 2.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 73.34 110.864 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.28 102.88 15.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 74.33 109.196 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 t -94.07 9.38 37.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.408 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 60' ' ' GLY . 40.1 t -77.85 81.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.194 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -113.62 102.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.466 -0.788 . . . . 63.51 108.928 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -23.85 27.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.718 -0.674 . . . . 64.24 112.43 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' ' 106' ' ' HIS . 33.0 t-80 -80.09 61.99 4.13 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.968 0.359 . . . . 64.41 111.968 -173.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 105' ' ' HIS . 8.9 p80 166.81 141.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.241 1.016 . . . . 74.25 108.918 169.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -67.11 132.46 47.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.152 0.501 . . . . 64.53 111.159 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -88.18 153.51 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.465 -0.789 . . . . 64.3 110.014 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -97.55 172.25 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.48 -0.327 . . . . 71.2 110.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t60 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.789 -0.624 . . . . 72.21 109.711 179.271 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG3' HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 61.22 111.035 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -156.4 148.06 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.876 -0.786 . . . . 73.12 108.876 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 p -67.85 143.61 55.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.867 0.365 . . . . 71.43 110.774 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 25.8 t80 -62.6 -36.71 83.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.51 111.088 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.49 -0.323 . . . . 44.42 111.375 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.37 -44.8 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 60.54 110.492 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.68 -43.62 89.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.866 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.89 -49.0 79.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 62.53 111.016 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -65.78 -45.34 82.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.413 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.3 tt0 -59.94 -43.9 94.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 55.01 110.457 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -56.73 -48.26 78.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 70.32 110.74 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.43 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.0 t80 -61.5 -45.81 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.956 176.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.745 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.1 tt0 -61.49 -39.1 89.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 75.42 111.526 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' GLN . 98.6 t -75.53 -22.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.717 0.294 . . . . 72.12 111.565 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 39.6 m-80 -110.97 -73.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.727 0.64 . . . . 71.41 112.727 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 4.1 mptp? -84.94 -13.27 51.25 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.777 0.658 . . . . 74.21 112.777 -167.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.745 HD22 ' HG3' ' A' ' 13' ' ' GLU . 38.7 tp -49.95 -58.34 9.74 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.31 0.856 . . . . 62.23 113.31 -171.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.9 Cg_endo -82.93 18.79 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 121.996 1.797 . . . . 45.23 113.277 -174.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -124.08 -43.05 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.777 0.322 . . . . 73.11 111.154 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.73 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 29.4 m -82.44 147.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.05 0.452 . . . . 62.05 111.606 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 23.9 m -77.48 171.37 15.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 74.12 110.439 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -34.54 69.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.484 -0.325 . . . . 55.14 111.317 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 p -59.0 -45.83 89.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.432 -0.349 . . . . 74.14 110.758 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.73 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 13.4 m -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 74.24 110.502 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 21' ' ' SER . 51.1 mtpt -58.95 -41.49 87.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 75.31 110.718 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 30.2 mmm180 -65.1 -30.06 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 73.42 111.448 -178.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -64.87 -45.78 84.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 75.44 110.035 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.28 -41.18 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.978 -0.556 . . . . 63.24 111.229 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 37.0 mt-10 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.095 -0.242 . . . . 73.31 110.658 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.897 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 32.5 t -62.54 -45.78 91.41 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.664 -0.495 . . . . 72.35 109.664 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.69 89.88 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.663 -0.699 . . . . 73.13 110.292 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -58.37 -44.39 88.83 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.779 -0.646 . . . . 75.34 111.175 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.897 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 48.6 mtmt -53.71 -51.6 62.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.863 0.363 . . . . 74.23 111.538 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -66.65 -35.0 79.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.244 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.46 -40.62 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.252 0.549 . . . . 64.11 109.871 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 48.7 tttp -61.84 -26.24 68.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.214 -0.903 . . . . 64.32 110.894 175.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.38 -47.57 13.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.448 -0.342 . . . . 72.42 111.303 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -87.41 -48.33 8.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.691 0.626 . . . . 74.31 112.691 -173.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 75.0 m-85 -107.59 70.49 0.78 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.241 0.543 . . . . 74.24 110.929 -173.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 57.9 mtt180 -81.44 -36.19 29.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.535 -0.757 . . . . 72.42 112.268 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -134.22 17.68 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 64.5 111.115 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.689 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 16.1 ttmm -86.74 118.54 26.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.499 -0.556 . . . . 71.02 109.499 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' A' ' 1' ' ' MET . 91.1 mt -62.66 157.56 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 71.35 111.445 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.1 -31.91 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.375 -0.83 . . . . 65.33 110.653 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -88.4 -9.28 53.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.813 -0.63 . . . . 71.04 111.284 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.3 10.09 39.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.412 0.625 . . . . 65.45 110.357 -172.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.613 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 46.9 mm -77.25 96.53 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.731 -0.668 . . . . 74.31 110.32 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 ttmp? -70.53 129.92 40.5 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.933 -0.766 . . . . 63.45 108.933 175.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 49' ' ' ARG . 14.5 ptt180 -61.88 -26.44 68.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 74.32 110.932 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 31.1 m -65.83 -38.57 89.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.392 -0.367 . . . . 65.33 110.307 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.738 ' HA ' ' HD2' ' A' ' 54' ' ' LYS . 48.7 mt-10 -71.13 -33.84 70.48 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.318 -0.401 . . . . 64.04 110.299 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 93' ' ' THR . 72.6 t80 -67.81 -41.29 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 72.34 110.146 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -62.48 -39.77 94.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 75.34 110.068 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.738 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 59.5 mttm -56.76 -48.65 77.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.204 0.526 . . . . 73.13 110.07 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 71' ' ' LEU . 85.2 t80 -56.03 -46.33 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.098 -0.955 . . . . 74.14 111.024 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.97 -40.87 95.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 74.34 111.671 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.4 m-20 -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.702 0.287 . . . . 54.13 110.823 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.83 -34.17 69.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.995 0.426 . . . . 71.53 110.692 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.6 -38.23 73.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 73.33 110.103 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.43 -5.41 82.2 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.967 -0.56 . . . . 72.44 112.713 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 101' ' ' SER . 87.3 mt -91.1 -14.06 31.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 74.21 110.497 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -120.64 -1.98 9.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.187 -0.461 . . . . 62.31 111.879 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.4 m80 -145.38 164.36 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 64.01 111.174 -174.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.4 m -83.09 176.61 9.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 53.41 111.116 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -59.95 -42.32 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.706 -0.679 . . . . 72.32 111.612 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.94 -43.45 98.63 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.864 -0.334 . . . . 74.34 111.585 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -62.13 -45.56 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 75.32 111.039 -175.244 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.99 -34.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.433 -0.349 . . . . 72.21 110.789 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -61.77 -50.09 73.77 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.024 0.44 . . . . 75.05 110.476 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 43.3 mttt -64.58 -42.63 95.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.559 -0.746 . . . . 71.12 110.604 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 55' ' ' PHE . 33.7 tp -52.65 -57.34 10.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 71.2 110.952 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -57.72 -40.2 79.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 74.03 111.203 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -61.54 -43.71 98.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 73.22 111.396 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.3 m-85 -63.95 -46.27 85.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.463 0.649 . . . . 75.44 109.762 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.5 mt -65.06 -40.25 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.957 -1.019 . . . . 62.14 111.191 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HE ' ' HB ' ' A' ' 93' ' ' THR . 46.2 mtt180 -61.07 -47.72 85.05 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.681 -0.236 . . . . 72.45 111.015 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.16 -37.79 81.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.547 -0.297 . . . . 72.42 111.049 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.87 61.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 61.43 111.273 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.613 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 25.3 m-85 -63.66 -43.26 97.23 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.705 0.288 . . . . 75.54 111.215 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 83' ' ' ILE . 26.3 t70 -61.18 -34.25 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.151 -0.477 . . . . 62.12 111.036 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.599 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 34.5 t70 -73.78 -34.81 64.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.77 0.319 . . . . 71.01 110.536 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -61.59 -38.33 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.318 -0.623 . . . . 73.0 109.318 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' PHE . 84.4 mt -65.49 -32.7 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.571 -0.741 . . . . 71.33 110.978 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.599 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 54.5 m170 -55.14 -52.19 64.05 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.356 -0.384 . . . . 74.15 110.987 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -84.83 -27.41 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.384 -0.371 . . . . 74.02 110.51 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.25 54.88 0.69 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.796 -0.716 . . . . 75.25 112.36 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -89.91 -70.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.981 0.42 . . . . 72.41 110.393 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.89 177.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 64.31 111.471 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.85 -57.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 75.11 110.055 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 4.0 mmtp -163.62 -168.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 71.23 110.013 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -89.86 113.8 58.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.286 -0.416 . . . . 70.44 110.393 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.95 7.55 2.0 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.625 2.883 . . . . 63.11 113.349 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' CE2' ' A' ' 52' ' ' TYR . 76.3 p -91.89 16.47 10.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.021 0.439 . . . . 74.25 110.641 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.7 -51.76 68.57 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.617 -0.72 . . . . 71.44 109.997 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -101.99 81.41 2.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.666 -0.697 . . . . 72.23 109.318 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.88 4.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 51.41 110.856 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -118.77 152.57 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.896 0.379 . . . . 73.12 110.338 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 mt -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 72.22 109.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -86.02 65.61 9.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 64.32 111.014 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.26 102.55 0.86 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 64.52 109.871 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.672 ' HB2' HD23 ' A' ' 61' ' ' LEU . 4.5 m -89.65 11.71 18.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 73.22 110.716 -173.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 103' ' ' LEU . 19.7 t -97.21 -14.97 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.631 -0.713 . . . . 63.54 110.318 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD12 ' HB ' ' A' ' 102' ' ' VAL . 6.0 mp -119.72 93.25 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 54.22 110.981 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -146.59 94.11 2.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.837 -0.62 . . . . 74.51 110.136 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -118.86 -39.55 2.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 65.34 109.621 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -153.6 132.28 12.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 51.04 109.723 171.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -130.14 125.0 34.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.047 0.451 . . . . 73.13 110.263 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -123.37 147.44 47.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.703 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -130.03 130.88 45.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.88 -0.6 . . . . 75.03 110.131 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.0 m80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.439 -0.791 . . . . 63.53 109.955 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.291 -0.263 . . . . 73.13 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.614 HG22 ' HE2' ' A' ' 87' ' ' TYR . 14.9 tt -136.29 156.43 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.427 -0.351 . . . . 61.12 110.199 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 64.2 p -75.22 146.85 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.084 -0.339 . . . . 74.32 110.084 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.51 -36.17 81.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.505 -0.316 . . . . 73.01 111.245 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.25 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 73.13 111.054 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.28 -35.03 79.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 54.1 110.521 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.34 -47.43 86.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 72.33 111.007 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.1 -49.27 78.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 74.53 111.006 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 58.8 t80 -65.58 -41.25 93.1 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.915 -0.314 . . . . 74.24 110.496 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.27 -47.22 85.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 61.31 110.205 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.593 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.9 t90 -55.96 -49.79 72.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 74.53 110.338 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.649 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.9 t80 -61.69 -48.34 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.091 -0.504 . . . . 75.52 111.898 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.751 ' HG3' HD22 ' A' ' 17' ' ' LEU . 45.4 tt0 -60.05 -34.57 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 72.35 111.8 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.04 -25.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.837 0.351 . . . . 73.15 111.536 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.2 m-20 -106.06 -37.87 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.312 0.856 . . . . 65.14 113.312 -167.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.5 mmtt -123.36 -17.26 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.49 0.552 . . . . 73.1 112.49 -171.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 13' ' ' GLU . 25.1 tp -49.37 -58.95 7.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 113.339 0.866 . . . . 63.02 113.339 -171.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 4.2 Cg_endo -83.2 7.52 5.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.171 1.914 . . . . 74.05 112.564 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -109.83 -31.85 7.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 72.22 110.945 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.2 m -92.89 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 52.1 111.389 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.9 p -78.26 166.51 22.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 61.52 110.215 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.56 -34.24 73.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 74.22 110.897 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 p -61.34 -39.84 92.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.22 -0.446 . . . . 74.05 110.605 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.657 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 29.6 m -74.7 -33.63 62.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 75.42 110.266 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.649 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 12.2 mtpp -55.51 -44.54 76.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.209 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -53.71 -45.31 70.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.421 -0.808 . . . . 65.43 111.263 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -58.59 -52.33 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.776 0.322 . . . . 73.15 110.852 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -62.0 -48.88 78.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 73.31 111.56 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.23 -39.35 78.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.352 . . . . 74.34 111.796 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.9 m -64.78 -39.85 94.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.833 0.349 . . . . 73.33 110.184 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.56 -45.51 93.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.624 -0.51 . . . . 72.4 109.624 175.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 46.7 t80 -57.15 -35.22 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.316 -0.857 . . . . 74.25 111.288 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -43.04 95.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.598 0.237 . . . . 71.11 111.131 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -65.02 -35.97 82.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.114 0.483 . . . . 75.41 109.855 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 31' ' ' ALA . 89.6 mt -70.54 -45.12 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.87 -0.605 . . . . 71.32 110.672 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.62 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.947 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -83.17 -36.83 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.605 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -83.7 -57.19 3.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 74.4 111.307 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 93.6 m-85 -89.81 50.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.921 -0.581 . . . . 62.42 111.183 -171.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -62.8 107.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.426 -0.806 . . . . 75.14 110.369 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 3' ' ' THR . 6.4 m170 66.05 13.47 9.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.951 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.753 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 38.7 tttp -86.04 123.57 31.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.611 -0.268 . . . . 64.14 110.296 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 57.6 mt -72.03 151.9 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 71.44 110.274 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 88' ' ' VAL . 2.5 pt? -71.04 -15.54 62.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.299 -0.41 . . . . 71.31 111.229 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.72 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -97.39 11.55 36.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 54.44 112.153 -177.41 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 3.8 p30 -127.67 13.79 6.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.238 0.542 . . . . 70.45 109.97 170.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 39' ' ' PHE . 34.2 mm -74.34 112.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 72.35 109.483 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -82.82 164.96 20.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.745 0.307 . . . . 61.32 110.285 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -68.61 -35.48 77.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.607 -0.516 . . . . 44.5 109.607 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 p -70.64 -38.61 73.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.273 -0.876 . . . . 75.22 111.181 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -64.62 -39.14 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.148 0.499 . . . . 72.24 110.266 175.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 93' ' ' THR . 33.3 t80 -69.44 -38.87 78.02 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 74.51 110.393 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.32 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 15.5 ptpt -68.01 -29.34 68.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.003 0.43 . . . . 73.31 110.302 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 71' ' ' LEU . 89.5 t80 -65.16 -44.75 87.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.651 173.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.28 -39.29 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 63.51 110.983 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.72 -38.99 83.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 65.44 111.142 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.61 -41.25 63.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.189 0.519 . . . . 75.21 110.563 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.92 -33.78 76.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.962 -0.563 . . . . 75.31 110.398 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -75.77 -8.29 84.35 Favored Glycine 0 C--O 1.228 -0.238 0 CA-C-N 116.016 -0.538 . . . . 65.2 112.829 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 101' ' ' SER . 91.1 mt -91.15 -23.29 20.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.078 0.466 . . . . 70.12 110.595 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -104.27 -34.19 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.686 -0.688 . . . . 73.14 112.024 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -121.27 165.24 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.352 . . . . 73.43 111.241 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 p -75.88 173.85 10.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.79 -0.641 . . . . 75.43 111.781 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.86 -47.14 84.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 73.2 111.906 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 9.0 tt0 -61.5 -37.12 82.53 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.384 -0.526 . . . . 62.25 110.279 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 m -66.29 -46.27 77.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 61.14 110.871 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -71.15 -34.19 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 61.24 110.585 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HA ' HD22 ' A' ' 98' ' ' LEU . 63.2 ttt180 -61.39 -44.76 96.6 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.067 0.46 . . . . 74.12 110.212 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 20.7 mtpt -69.65 -36.8 76.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.665 -0.698 . . . . 64.33 110.904 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 55' ' ' PHE . 22.7 tp -53.31 -52.87 57.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.032 0.444 . . . . 75.21 110.666 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -55.16 -41.27 71.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.452 -0.794 . . . . 53.31 110.489 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -63.21 -42.73 99.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.855 -0.611 . . . . 71.22 111.141 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -62.89 -52.94 61.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 73.41 110.417 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.44 -43.98 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.567 -0.742 . . . . 75.2 111.361 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.58 -38.95 89.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.591 -0.277 . . . . 74.21 110.542 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -64.75 -40.5 95.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.98 0.419 . . . . 75.13 110.018 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.48 90.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 52.44 111.221 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.07 -31.77 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.346 . . . . 73.41 111.227 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 18.9 t70 -58.06 -34.67 70.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.464 175.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -76.43 -42.48 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 74.43 110.573 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.77 -44.38 81.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.081 -0.509 . . . . 72.32 110.962 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 tt -74.31 -33.26 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.091 0.472 . . . . 71.2 110.365 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.9 t-80 -63.65 -31.93 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 74.22 109.779 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.36 -48.85 12.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.122 -0.944 . . . . 65.4 109.356 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.2 12.72 11.66 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.069 -1.212 . . . . 75.3 110.069 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.614 ' HE2' HG22 ' A' ' 2' ' ' ILE . 5.4 t80 -69.83 -37.56 76.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.661 -0.77 . . . . 75.14 109.721 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 45' ' ' LYS . 47.1 t -132.83 131.56 59.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.222 -0.899 . . . . 61.11 108.656 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.54 -33.06 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.233 0.457 . . . . 70.13 112.233 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 74.31 110.805 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 14.6 p-10 -94.51 138.88 22.23 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.932 -0.576 . . . . 70.34 111.103 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 36.4 Cg_exo -63.09 -19.66 69.42 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.719 2.946 . . . . 73.52 113.198 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.427 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.3 p -75.05 68.48 1.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.663 0.744 . . . . 52.32 110.557 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.601 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 64.1 t80 -106.9 -45.23 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.073 -0.967 . . . . 63.25 110.76 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -134.72 28.33 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.442 . . . . 74.55 110.786 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.04 134.99 55.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 75.13 111.793 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -116.53 137.04 52.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.486 -0.779 . . . . 72.41 110.528 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 69' ' ' ARG . 70.3 mt -76.45 97.01 4.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.935 -0.765 . . . . 72.1 108.935 171.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -113.78 90.6 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.109 -0.496 . . . . 60.23 110.967 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.07 124.79 50.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.131 -0.486 . . . . 40.52 110.03 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.653 ' HB3' HD23 ' A' ' 61' ' ' LEU . 38.2 t -103.66 9.29 37.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.231 0.538 . . . . 65.11 109.997 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLY . 38.1 t -81.6 80.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 74.41 109.921 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -97.2 110.66 23.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.713 -0.676 . . . . 71.53 109.635 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.6 -48.47 81.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.997 0.427 . . . . 64.52 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.42 96.29 9.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 71.33 110.437 -175.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -82.83 134.12 35.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.336 . . . . 71.23 110.128 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -73.37 -19.7 60.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.959 0.409 . . . . 74.33 110.445 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -155.43 176.52 12.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.564 . . . . 74.44 110.343 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -92.53 159.2 15.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.162 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.337 -0.84 . . . . 72.35 109.509 178.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB3' HD22 ' A' ' 43' ' ' LEU . 4.5 mmt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.036 0.446 . . . . 73.34 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.616 HG21 ' HD1' ' A' ' 7' ' ' TYR . 14.5 tt -132.56 153.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.653 -0.703 . . . . 53.13 110.084 -176.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.6 p -70.47 148.86 47.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.272 -0.27 . . . . 73.44 110.272 177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.488 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 18.8 t80 -60.29 -38.68 84.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 73.03 110.771 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.23 69.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 64.52 111.17 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.38 -33.28 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.6 -0.273 . . . . 62.03 111.111 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.616 ' HD1' HG21 ' A' ' 2' ' ' ILE . 49.5 t80 -63.59 -43.03 98.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.847 -0.427 . . . . 74.31 109.847 177.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.93 -44.82 95.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.613 -0.721 . . . . 73.5 110.294 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -65.11 -47.2 78.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 72.01 110.72 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.21 -51.56 69.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.006 -0.543 . . . . 73.31 110.153 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -52.35 -45.39 65.67 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.217 -0.901 . . . . 71.15 110.952 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.2 t80 -65.7 -58.07 6.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.915 -0.584 . . . . 72.33 111.693 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.13 -38.17 82.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 75.33 111.933 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.69 -21.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.109 0.411 . . . . 64.41 112.109 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -124.52 -55.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.501 0.926 . . . . 72.21 113.501 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.4 mmtt -80.57 -12.07 59.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.273 0.472 . . . . 63.54 112.273 -167.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 46.1 tp -47.35 -55.41 16.29 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.391 0.885 . . . . 64.53 113.391 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 88.8 Cg_endo -80.99 8.05 4.56 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.79 1.66 . . . . 70.42 113.559 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -119.82 -1.22 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.673 0.273 . . . . 63.32 111.343 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.9 m -113.13 159.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.926 0.394 . . . . 73.21 111.294 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 89.2 p -97.05 177.09 5.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.195 -0.669 . . . . 73.1 109.195 174.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.68 -32.09 73.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.701 -0.481 . . . . 72.34 109.701 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.792 -0.64 . . . . 72.42 109.393 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.788 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 3.1 m -62.64 -40.11 95.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.209 -0.451 . . . . 50.33 110.317 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.646 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 97.6 mttt -56.8 -51.03 70.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.242 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.82 -33.72 70.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.859 -0.61 . . . . 71.01 111.542 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' THR . 20.2 m80 -59.75 -51.44 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 71.54 110.389 172.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.03 -43.77 98.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 72.33 111.252 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.12 -44.06 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 64.11 110.952 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.919 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 50.6 m -62.31 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.43 110.48 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.41 -53.11 61.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 74.32 110.318 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -56.24 -44.71 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.796 . . . . 71.21 111.975 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.919 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 65.1 pttt -71.69 -31.89 67.25 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.08 -0.248 . . . . 74.01 111.589 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 m-70 -75.73 -33.14 60.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.851 0.358 . . . . 74.33 110.491 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.9 mt -63.06 -51.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 63.13 110.69 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 18.7 ptpt -65.42 -27.28 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 74.13 110.792 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 11.7 t70 -58.5 -47.85 82.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.22 -0.445 . . . . 64.4 110.766 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -86.78 -46.61 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.702 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 77.0 m-85 -98.69 67.08 1.7 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.281 0.562 . . . . 74.02 111.56 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.52 115.67 10.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.725 -0.671 . . . . 75.43 110.629 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 m170 61.22 19.11 9.78 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.226 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -93.49 116.27 28.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.116 0.484 . . . . 64.1 111.252 -171.638 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 61.1 mt -60.7 145.7 48.39 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.349 -0.842 . . . . 74.34 109.834 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.852 ' HA ' HD13 ' A' ' 47' ' ' ILE . 2.5 pt? -67.13 -14.64 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 74.52 111.23 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -76.23 -15.58 60.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 74.2 110.68 176.536 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 10.7 t70 -95.19 -5.32 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 75.4 110.078 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.852 HD13 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mp -84.68 103.23 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 71.13 109.661 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HB2' ' OE1' ' A' ' 51' ' ' GLU . 10.4 mtmp? -95.16 150.67 19.95 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.328 -0.619 . . . . 73.42 109.328 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 2.9 ptp180 -56.35 -24.68 45.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.537 0.569 . . . . 70.1 112.537 -174.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 p -70.13 -39.48 75.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.422 -0.354 . . . . 61.42 111.403 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 48' ' ' LYS . 3.6 mp0 -76.2 -32.17 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.191 0.52 . . . . 41.04 109.773 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' CE1' HG21 ' A' ' 75' ' ' ILE . 44.2 t80 -60.54 -40.34 91.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 73.23 110.547 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -63.3 -37.71 88.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 65.13 110.367 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.22 -38.75 92.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.022 0.439 . . . . 73.1 110.292 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HD21 ' A' ' 71' ' ' LEU . 75.3 t80 -62.02 -50.78 70.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.758 -0.655 . . . . 64.14 110.384 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HB3' HD11 ' A' ' 68' ' ' ILE . 87.0 mt -62.35 -33.63 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.566 . . . . 73.23 110.781 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -58.73 -53.45 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 61.43 110.363 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.31 -39.47 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.177 0.513 . . . . 70.51 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -69.63 -38.6 77.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.909 -0.587 . . . . 73.25 110.69 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.21 -12.91 84.16 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.112 -0.495 . . . . 63.2 112.834 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -86.81 -15.98 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.919 0.39 . . . . 73.15 110.484 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -115.03 -20.43 10.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 62.02 112.492 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -123.5 170.57 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.892 0.377 . . . . 62.31 111.539 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -72.26 164.77 25.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.65 -0.705 . . . . 60.44 110.831 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.82 -46.69 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 54.14 111.373 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 25.6 tt0 -69.55 -28.21 65.8 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.711 -0.396 . . . . 63.42 110.699 -176.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -63.41 -48.86 76.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.584 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.4 tt -73.68 -34.56 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.99 0.424 . . . . 65.32 110.411 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' HD13 ' A' ' 98' ' ' LEU . 63.2 ttt180 -57.76 -49.63 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.538 . . . . 74.32 110.736 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.5 ttmt -69.87 -35.9 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.786 -0.643 . . . . 72.35 110.105 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.4 tp -55.78 -52.56 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.846 -0.616 . . . . 75.4 110.666 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -56.12 -39.68 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 73.51 110.784 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 t -62.45 -42.61 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 60.55 110.454 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 22.6 m-85 -59.56 -54.04 51.11 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.214 0.53 . . . . 74.13 110.443 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.488 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.2 mt -63.88 -43.43 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 55.34 111.753 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.794 ' HB3' HG21 ' A' ' 93' ' ' THR . 3.8 ptm180 -63.92 -36.98 85.72 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.763 -0.375 . . . . 75.24 110.511 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.35 -31.5 63.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.41 110.385 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.72 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.518 . . . . 60.23 110.347 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.45 -30.81 62.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 75.53 110.8 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.564 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.1 t70 -60.14 -33.06 71.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.394 0.616 . . . . 75.32 109.498 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.5 -48.34 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.359 -0.837 . . . . 72.43 110.059 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -65.56 -38.56 89.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 71.32 112.107 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.0 tt -73.47 -33.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 71.11 110.932 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -61.88 -28.88 69.82 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.426 0.631 . . . . 75.21 109.609 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.67 -48.46 7.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.079 -0.964 . . . . 52.53 109.868 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.96 37.93 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.417 -1.073 . . . . 73.22 110.417 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 1' ' ' MET . 28.2 t80 -86.19 -46.55 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.973 -0.613 . . . . 75.41 111.433 -173.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.718 HG11 ' HG ' ' A' ' 44' ' ' LEU . 17.9 m -135.86 -158.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 70.22 110.64 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.57 168.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.559 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -56.91 -67.6 0.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.688 -0.687 . . . . 71.52 111.588 -175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.68 139.41 1.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.527 -0.306 . . . . 71.41 110.412 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.628 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 87.3 Cg_endo -79.39 -16.27 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.709 2.273 . . . . 75.21 112.764 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.794 HG21 ' HB3' ' A' ' 76' ' ' ARG . 69.9 p -77.21 0.21 22.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 64.51 110.791 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.37 -35.67 76.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 72.41 111.157 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 71.3 mmtt -120.12 28.89 7.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.453 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.37 153.74 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.086 0.469 . . . . 75.41 111.37 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' CD ' ' HD1' ' A' ' 99' ' ' HIS . 43.0 tt0 -145.38 144.28 30.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.48 -0.782 . . . . 72.55 109.792 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 69' ' ' ARG . 79.0 mt -104.54 36.55 2.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 74.3 112.082 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.423 ' HD1' ' CD ' ' A' ' 97' ' ' GLU . 1.5 m80 -77.91 92.2 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.647 -0.421 . . . . 73.44 110.985 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.68 110.55 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.779 -0.646 . . . . 31.5 110.041 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 61' ' ' LEU . 24.5 m -85.01 25.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.933 0.397 . . . . 63.33 111.35 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.29 -32.76 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.057 0.456 . . . . 75.32 110.352 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -121.95 151.08 41.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.063 -0.517 . . . . 73.13 110.096 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -87.18 129.48 34.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.284 0.564 . . . . 74.45 110.599 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -97.5 -23.91 15.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.427 -0.806 . . . . 75.34 110.149 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -90.11 97.43 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.09 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -102.1 155.62 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.305 -0.407 . . . . 61.53 111.251 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -170.29 138.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.709 -0.678 . . . . 72.13 109.68 178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -86.37 -27.83 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 73.42 110.218 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.43 -0.795 . . . . 74.11 109.459 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HD13 ' A' ' 43' ' ' LEU . 11.1 mmt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.749 -0.463 . . . . 75.31 109.749 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.529 HG22 ' OH ' ' A' ' 87' ' ' TYR . 11.0 tp -83.63 144.06 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.155 0.503 . . . . 74.33 110.189 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -76.45 150.82 36.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.747 -0.661 . . . . 61.25 111.031 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HD1' HD12 ' A' ' 44' ' ' LEU . 17.8 t80 -58.09 -46.87 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 70.02 111.355 -175.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.95 74.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.973 0.416 . . . . 31.31 111.212 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.09 -44.99 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 61.13 110.951 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HD1' HG21 ' A' ' 2' ' ' ILE . 63.9 t80 -61.8 -47.22 86.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.46 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.63 -52.78 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 72.1 111.609 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -71.79 -38.55 70.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 72.12 111.183 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -63.71 -44.39 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.126 0.489 . . . . 73.45 110.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -52.71 -45.11 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.377 -0.829 . . . . 73.13 110.143 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.572 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 17.6 t80 -66.24 -49.11 68.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.431 -0.804 . . . . 74.55 111.229 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.882 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.8 tt0 -57.2 -47.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 73.22 111.934 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.85 -28.33 42.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.534 -0.303 . . . . 74.13 111.582 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 16' ' ' LYS . 48.5 m-80 -111.52 -67.22 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.785 0.661 . . . . 63.31 112.785 -169.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.0 mptp? -88.57 -26.08 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.367 0.506 . . . . 61.34 112.367 -169.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' HG3' ' A' ' 13' ' ' GLU . 15.3 tp -42.75 -59.51 2.91 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 114.05 1.13 . . . . 73.32 114.05 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 14.7 Cg_endo -87.83 15.02 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.129 1.886 . . . . 64.1 113.303 -171.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -124.39 0.95 8.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.955 0.407 . . . . 74.44 110.717 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 14.1 m -121.48 153.3 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.113 -0.494 . . . . 73.25 110.451 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -93.77 178.22 5.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 62.32 110.073 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.4 mm-40 -49.66 -37.59 29.05 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.269 0.355 . . . . 73.02 111.411 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -50.73 -50.32 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 54.12 111.31 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.651 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 4.1 m -78.24 -33.47 49.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.223 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.6 mtpm? -63.17 -41.04 99.17 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.973 -0.558 . . . . 54.4 111.437 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.8 mtt180 -54.06 -37.76 64.53 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.112 0.258 . . . . 75.24 111.255 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -72.48 -44.94 61.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.358 -0.383 . . . . 71.14 110.508 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.27 -44.47 87.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.607 -0.27 . . . . 74.22 111.584 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.25 -42.68 99.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.86 0.362 . . . . 63.05 110.278 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 11.2 t -68.42 -36.6 79.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 70.41 110.185 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.17 68.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 73.15 110.162 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.488 -0.778 . . . . 75.31 111.721 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 22.3 ptmt -64.31 -38.7 91.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.597 -0.441 . . . . 54.53 111.173 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HD2' ' O ' ' A' ' 30' ' ' SER . 82.1 m-70 -73.53 -39.44 64.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.958 -0.297 . . . . 64.32 110.723 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.18 -49.46 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 CA-C-O 120.757 0.313 . . . . 71.11 110.227 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 25.1 ttmt -59.83 -29.56 68.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 74.34 111.213 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.32 -44.86 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.044 -0.525 . . . . 74.24 111.502 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -88.0 -42.59 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 74.51 111.575 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -114.25 90.26 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.373 0.606 . . . . 44.32 109.66 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 38.3 mtp85 -91.76 -50.25 5.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.389 -0.823 . . . . 73.25 111.109 -171.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -120.2 14.07 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 73.23 110.839 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -78.05 132.1 37.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 74.3 109.433 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 77.9 mt -71.61 162.36 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 74.11 110.386 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.486 HD12 ' HD1' ' A' ' 4' ' ' PHE . 40.6 tp -61.02 -52.89 63.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.27 0.557 . . . . 72.11 110.92 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -74.24 -7.25 52.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 74.33 110.945 -178.621 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.813 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.8 t70 -99.22 12.55 35.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 63.02 110.596 -169.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.7 mm -83.08 112.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 71.33 110.209 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -75.18 129.52 37.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 60.34 110.511 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -53.39 -31.27 44.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.405 -0.816 . . . . 64.21 111.758 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 4.1 p -70.37 -43.77 69.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 74.04 111.078 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.639 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 26.2 mm-40 -66.91 -33.89 76.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.276 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -62.9 -34.82 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.621 -0.718 . . . . 75.24 110.281 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 50' ' ' THR . 53.9 tp60 -55.91 -45.02 78.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.572 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.26 -46.2 81.44 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.625 -0.261 . . . . 75.2 110.628 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 71' ' ' LEU . 72.4 t80 -54.47 -39.6 67.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 70.55 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD12 ' HB1' ' A' ' 96' ' ' ALA . 73.8 mt -74.07 -43.76 56.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.099 -0.5 . . . . 62.55 111.766 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 p30 -73.08 -24.83 60.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.426 -0.51 . . . . 74.54 111.557 -176.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.04 -35.36 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.411 0.624 . . . . 63.22 109.64 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.21 -36.16 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.613 -0.722 . . . . 75.44 110.549 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.33 -3.54 77.2 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.995 -0.548 . . . . 71.52 113.678 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 94.1 mt -90.17 -34.34 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.02 0.438 . . . . 74.41 110.112 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -90.99 -38.46 12.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.363 0.601 . . . . 71.1 111.108 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -115.26 143.76 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 72.52 109.648 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 t -77.46 -178.98 5.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 61.43 111.351 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.491 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.9 t80 -57.57 -41.37 80.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.471 -0.786 . . . . 75.34 111.917 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.49 -45.19 92.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.889 0.376 . . . . 70.15 111.242 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -72.36 -41.82 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.408 -177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.0 tt -67.0 -33.98 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 110.068 -0.345 . . . . 53.42 110.068 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -60.07 -46.4 89.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.008 0.433 . . . . 72.41 110.069 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -58.26 -50.31 74.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 61.41 110.472 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 55' ' ' PHE . 47.1 tp -52.41 -53.29 47.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 74.14 111.066 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.81 -38.32 84.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 60.53 110.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.41 111.089 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -65.31 -48.5 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 71.54 110.011 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.81 -48.18 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 75.34 111.082 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 76' ' ' ARG . 22.3 ttt180 -66.5 -33.45 75.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.273 -0.421 . . . . 42.34 110.973 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -40.04 76.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.248 -0.279 . . . . 44.15 110.248 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.64 97.09 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 64.51 110.689 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.19 -36.62 82.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.42 111.033 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 24.2 t70 -62.29 -41.85 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.668 -0.242 . . . . 64.34 110.63 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 53.15 110.494 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.54 -48.56 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 71.24 111.296 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 80' ' ' ASP . 15.0 tt -65.69 -31.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 74.23 110.239 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.3 t-80 -59.03 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.443 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.93 -16.14 25.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.861 -0.609 . . . . 73.32 110.555 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.01 11.91 58.26 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.986 -0.626 . . . . 34.21 111.809 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.529 ' OH ' HG22 ' A' ' 2' ' ' ILE . 22.8 t80 -71.61 -36.78 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 74.24 111.302 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' A' ' 45' ' ' LYS . 27.7 m -115.65 145.8 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.762 0.315 . . . . 75.04 110.371 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.2 tp -79.39 -50.69 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 63.13 111.429 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.29 159.09 42.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.769 -0.456 . . . . 74.24 109.769 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.11 143.54 26.3 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 53.42 110.875 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.71 -17.26 37.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.898 2.399 . . . . 61.0 112.594 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -75.39 76.08 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.432 0.634 . . . . 73.33 110.084 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -143.48 -62.44 0.4 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 70.32 109.934 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -96.15 25.23 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.772 0.796 . . . . 75.23 109.555 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.537 ' HB1' HD12 ' A' ' 56' ' ' LEU . . . -135.75 145.09 46.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.047 -0.979 . . . . 72.02 110.163 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 99' ' ' HIS . 8.9 pt-20 -135.58 170.27 16.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.32 -177.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.38 70.22 7.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.235 0.541 . . . . 44.42 109.865 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 97' ' ' GLU . 7.9 t60 -93.55 65.78 3.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.746 -0.661 . . . . 62.42 110.266 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.5 168.73 19.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 32.41 109.925 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -145.39 -64.57 0.33 Allowed 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.929 -0.309 . . . . 72.12 111.061 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t 52.15 67.32 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 122.115 0.96 . . . . 54.24 109.943 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -118.08 -158.12 0.7 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.065 -0.971 . . . . 63.42 109.796 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -101.48 159.91 14.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.601 -0.518 . . . . 63.41 109.601 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -128.21 29.85 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.404 0.621 . . . . 73.43 109.961 171.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -100.97 -49.13 4.21 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.26 -0.882 . . . . 73.34 110.354 170.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -65.2 -42.87 93.14 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.542 -0.54 . . . . 71.2 109.542 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -104.96 94.58 5.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.522 -1.288 . . . . 71.55 107.522 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -63.81 155.91 28.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 73.04 112.683 -167.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.039 -0.982 . . . . 70.11 108.742 174.571 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HE2' ' A' ' 45' ' ' LYS . 6.2 mmt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.98 0.419 . . . . 62.43 110.457 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -90.48 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.889 -0.596 . . . . 72.42 110.804 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' HB2' ' A' ' 41' ' ' HIS . 0.8 OUTLIER -70.52 141.31 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.842 -0.617 . . . . 62.33 110.857 176.16 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -59.85 -41.51 91.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.45 111.766 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.07 73.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.147 0.499 . . . . 62.43 110.83 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.6 -38.91 81.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.6 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -59.82 -46.53 88.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.837 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -58.91 -49.23 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.912 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 74.25 110.554 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.33 -47.59 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 73.45 110.418 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -53.96 -41.3 67.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 74.22 110.092 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.498 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 31.3 t80 -65.15 -57.95 7.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.942 -0.572 . . . . 73.25 110.707 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.54 -41.87 63.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.561 0.538 . . . . 53.15 112.24 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.72 -36.19 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.581 -0.282 . . . . 54.41 111.512 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.825 0.345 . . . . 62.54 111.594 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 107.25 16.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.34 -0.615 . . . . 53.32 109.34 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.923 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 27.4 tp -151.4 -61.95 0.02 OUTLIER Pre-proline 0 C--N 1.315 -0.891 0 C-N-CA 120.128 -0.629 . . . . 63.25 111.047 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.923 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.2 Cg_endo -85.13 -3.78 9.58 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.904 1.736 . . . . 73.42 111.426 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -104.22 -1.16 27.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.773 -0.649 . . . . 50.13 111.327 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.98 165.63 21.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.503 -0.317 . . . . 73.33 110.787 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -90.82 166.09 13.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.138 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.5 pt-20 -61.06 -29.21 69.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.622 -0.263 . . . . 71.22 110.635 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 p -60.59 -43.42 97.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.198 0.523 . . . . 73.33 110.194 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -64.2 -37.41 87.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.41 110.152 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 7.5 mtpm? -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.078 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 79.7 mtt180 -58.99 -37.86 77.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 73.21 111.041 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -60.92 -54.02 50.12 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.918 0.39 . . . . 73.31 110.881 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -62.67 -40.64 97.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.645 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.92 -36.35 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.455 0.169 . . . . 71.13 111.163 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.645 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 66.8 m -65.58 -39.06 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.412 . . . . 62.14 109.925 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.81 -51.22 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.639 . . . . 55.13 110.024 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.31 -44.1 79.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.166 -0.925 . . . . 75.3 112.166 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 63.8 pttt -69.99 -32.25 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.838 -0.345 . . . . 74.3 111.147 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -75.92 -32.6 59.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.881 0.372 . . . . 74.34 110.393 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.1 mt -63.06 -47.15 94.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.515 -0.55 . . . . 70.13 109.515 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.3 ttmt -64.06 -28.06 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 70.52 110.639 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.98 -42.95 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.874 -0.603 . . . . 75.23 111.178 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -87.32 -48.38 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 74.02 111.22 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -114.66 82.35 1.71 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.459 -0.571 . . . . 73.52 109.459 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 24.7 mtm180 -59.43 -39.6 84.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.807 -173.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.6 OUTLIER -156.24 57.76 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.876 0.846 . . . . 61.22 110.306 174.004 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -89.79 142.59 27.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 72.31 108.6 177.097 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 90.5 mt -68.71 160.46 30.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.661 0.267 . . . . 64.12 110.862 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.8 -43.04 90.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 42.03 111.455 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 39.9 pttt -93.6 14.58 18.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.084 0.469 . . . . 74.43 110.435 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t0 -106.99 6.36 29.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.618 0.723 . . . . 65.42 109.962 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 ' HG2' ' A' ' 42' ' ' LYS . 27.0 mm -92.97 109.89 22.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.334 -0.848 . . . . 73.41 110.156 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.928 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 88.8 mttt -74.77 149.97 39.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 72.53 110.537 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 12.3 ptt180 -66.71 -33.83 76.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 74.23 110.545 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 12.7 p -70.88 -33.82 70.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 53.21 111.404 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.928 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 10.1 mm-40 -68.7 -37.3 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.406 0.622 . . . . 75.12 109.42 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.45 -35.7 80.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 70.45 110.33 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -60.81 -44.09 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 71.41 110.371 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' THR . 50.3 mttm -64.44 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.238 0.542 . . . . 72.01 110.276 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CE2' HD21 ' A' ' 71' ' ' LEU . 77.9 t80 -63.44 -49.12 74.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.413 -0.812 . . . . 63.41 110.551 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.91 -39.83 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 72.13 110.872 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 14.8 t-20 -57.51 -50.06 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 73.44 110.59 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.28 -39.43 86.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.074 -0.512 . . . . 63.52 111.156 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -66.65 -35.11 79.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 65.13 110.544 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -76.72 -12.0 84.85 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.077 -0.583 . . . . 33.42 112.61 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 91.4 mt -90.48 -14.59 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.893 0.378 . . . . 61.44 110.485 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -114.4 -25.33 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.516 . . . . 43.31 112.257 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.42 159.88 33.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 62.43 110.805 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.7 m -67.76 165.97 16.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 33.33 111.943 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.507 ' HB2' HD11 ' A' ' 103' ' ' LEU . 84.1 t80 -59.37 -43.65 92.85 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.529 -0.759 . . . . 74.13 111.992 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 16.9 mt-10 -70.25 -28.29 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.2 -0.6 . . . . 75.34 111.243 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -66.99 -48.29 68.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.325 -0.398 . . . . 73.42 110.227 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 100' ' ' ALA . 9.6 tt -71.38 -34.65 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.566 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -64.37 -44.2 92.13 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.142 -0.318 . . . . 62.43 110.142 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -61.5 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.505 -0.554 . . . . 54.21 109.505 177.238 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 55' ' ' PHE . 28.2 tp -52.82 -54.82 28.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.658 -0.701 . . . . 65.33 111.061 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 63.9 t30 -56.24 -40.16 73.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.471 -0.786 . . . . 52.23 110.489 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 m -63.34 -40.97 98.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.87 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -64.67 -49.1 72.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.95 0.405 . . . . 75.41 110.803 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.71 -40.41 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.619 . . . . 63.02 111.204 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HA ' HG21 ' A' ' 93' ' ' THR . 19.6 mtp180 -62.42 -44.24 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.254 -0.276 . . . . 64.31 110.254 175.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.72 -35.17 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 62.42 110.587 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.76 15.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 53.43 111.458 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -66.64 -34.06 77.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.63 -0.259 . . . . 71.42 111.37 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 83' ' ' ILE . 26.4 t70 -64.81 -37.33 87.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 65.41 109.841 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.666 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 27.9 t0 -71.03 -34.22 71.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.454 . . . . 73.24 110.304 177.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -66.41 -43.89 84.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 74.12 110.876 176.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -65.59 -28.66 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 71.52 110.797 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.666 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 40.0 m170 -54.12 -34.51 60.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.137 0.494 . . . . 63.21 110.019 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -94.04 -15.63 24.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.802 -0.635 . . . . 64.41 111.019 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 19.44 60.5 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.952 -0.859 . . . . 50.13 110.952 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -61.82 -37.85 85.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.496 . . . . 72.33 109.99 -178.124 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.52 162.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 74.04 110.789 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 ' HG3' ' A' ' 90' ' ' LYS . 7.8 tp -139.8 141.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.803 -0.814 . . . . 62.23 108.803 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.488 ' HG3' HG13 ' A' ' 89' ' ' ILE . 59.2 mttp 58.82 44.89 16.22 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.284 0.564 . . . . 71.34 109.79 -175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.0 148.68 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.074 -0.967 . . . . 73.13 111.862 -175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 18.5 Cg_endo -59.09 -25.73 79.01 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.401 2.734 . . . . 75.33 113.508 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 76' ' ' ARG . 23.3 p -79.46 6.16 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.473 . . . . 73.04 111.305 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.97 -44.44 94.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.761 . . . . 75.23 110.262 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -131.17 98.22 4.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 73.33 110.17 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.46 47.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 74.23 110.728 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -137.29 153.75 50.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 109.917 177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -99.04 96.13 7.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 71.11 111.033 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -95.65 80.74 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.015 -0.539 . . . . 64.2 109.928 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 68' ' ' ILE . . . -108.04 108.99 20.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 72.21 110.718 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m -85.72 -7.76 58.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.28 0.562 . . . . 71.45 109.878 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 60' ' ' GLY . 12.3 t -83.84 74.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 74.43 110.241 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 65' ' ' TYR . 35.3 mt -150.18 103.47 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.33 -0.85 . . . . 65.13 110.142 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -103.94 146.1 29.16 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.887 -0.412 . . . . 74.31 109.887 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.25 -34.15 10.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.285 -0.416 . . . . 71.13 111.557 -171.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.89 145.98 30.92 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.495 -0.482 . . . . 73.03 110.535 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -77.22 124.62 28.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 71.42 110.611 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -135.0 121.59 20.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 75.22 109.207 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -133.98 118.11 17.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 74.03 110.575 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.9 t60 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.617 -0.706 . . . . 65.41 110.041 178.851 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.691 ' SD ' ' HD3' ' A' ' 45' ' ' LYS . 77.0 mtm . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.969 0.414 . . . . 73.24 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.8 tt -98.17 155.28 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 72.31 110.571 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 34.1 p -63.47 142.69 58.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.486 -0.324 . . . . 74.43 110.461 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.56 -43.13 97.62 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.099 0.249 . . . . 72.44 111.642 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -56.19 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.301 . . . . 35.5 111.213 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 34.7 t70 -63.37 -34.61 78.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.991 -0.549 . . . . 72.4 110.55 -177.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 2' ' ' ILE . 82.2 t80 -64.9 -44.42 89.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.952 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -58.7 -49.02 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 73.34 111.021 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.31 -38.31 74.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 60.23 110.198 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.8 tp60 -59.63 -48.88 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.558 -0.534 . . . . 74.22 109.558 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.79 -43.82 81.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.188 -0.914 . . . . 72.1 110.846 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.506 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 29.3 t80 -60.66 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.554 . . . . 72.12 111.022 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.602 ' HG2' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.69 -45.15 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 72.32 110.55 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.01 -32.17 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.012 -0.54 . . . . 74.24 111.62 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 28.5 m-80 -108.39 -73.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.388 0.884 . . . . 70.23 113.388 -168.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 66.5 mmtt -83.72 -14.56 51.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.663 0.616 . . . . 72.14 112.663 -166.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 13' ' ' GLU . 23.9 tp -51.21 -53.29 50.45 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 112.782 0.66 . . . . 71.11 112.782 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 74.1 Cg_endo -76.35 7.49 3.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.155 1.903 . . . . 70.31 113.88 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -117.02 -45.89 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.939 0.399 . . . . 65.12 111.245 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.833 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.3 m -80.25 143.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 71.55 112.193 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 m -80.54 173.75 12.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 22.22 109.882 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.77 -28.94 66.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.861 0.362 . . . . 62.42 110.998 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -62.83 -46.71 86.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.148 -0.478 . . . . 22.54 110.815 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.833 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 50.1 m -75.01 -29.12 60.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 73.52 110.387 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 7.8 mtpm? -56.68 -45.43 81.76 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.773 -0.455 . . . . 72.51 109.773 173.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -55.75 -32.93 63.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.808 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -64.13 -54.02 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 72.3 110.315 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -65.23 -45.04 86.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 63.21 111.673 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 79.3 mm-40 -56.81 -52.84 63.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.118 0.261 . . . . 72.53 110.647 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -61.23 -40.6 94.61 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.275 -0.42 . . . . 60.14 110.598 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.46 -46.4 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.832 -0.622 . . . . 52.43 110.617 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -58.03 -39.73 79.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.595 . . . . 74.42 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 41.1 mtpt -65.25 -39.1 92.21 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.605 -0.27 . . . . 73.32 110.737 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 66.0 m-70 -72.22 -36.29 69.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.46 -0.496 . . . . 72.21 110.442 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 31' ' ' ALA . 69.5 mt -64.89 -50.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 61.32 110.774 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 21.9 pttp -64.39 -25.09 67.87 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.275 0.559 . . . . 62.31 110.599 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 24.7 t70 -65.68 -48.16 72.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.503 -0.771 . . . . 73.54 111.404 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -87.93 -43.32 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 61.33 111.433 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 57.6 m-85 -110.32 96.99 6.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.853 -0.612 . . . . 71.45 109.423 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 51.2 mtm180 -97.65 -63.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 55.11 110.503 -174.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -113.39 21.52 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.719 0.771 . . . . 74.44 109.429 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.846 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 18.8 ttmm -87.2 119.04 27.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.875 -1.057 . . . . 61.32 109.54 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 66.9 mt -69.81 170.52 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.749 -0.659 . . . . 73.44 111.381 -175.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -37.02 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 74.11 111.145 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 14.1 ptmt -97.39 8.11 45.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 74.05 110.851 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 42' ' ' LYS . 9.8 t70 -95.42 0.81 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.694 -0.854 . . . . 64.13 108.694 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 42' ' ' LYS . 33.5 mm -82.1 106.58 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.809 -1.087 . . . . 53.45 110.029 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.786 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 3.7 mptp? -79.78 142.35 35.43 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.709 -0.849 . . . . 74.04 108.709 173.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -56.59 -32.02 64.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.869 0.366 . . . . 64.32 110.72 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -37.18 73.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.034 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.786 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 8.4 mm-40 -64.71 -41.74 95.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.466 0.65 . . . . 65.43 109.738 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.758 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 51.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 51.4 110.478 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.87 -43.15 98.79 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.263 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -60.07 -46.5 89.37 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.364 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.639 ' CE2' HD21 ' A' ' 71' ' ' LEU . 66.3 t80 -56.54 -43.45 79.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.488 -0.778 . . . . 74.21 110.864 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 90.5 mt -67.95 -44.43 76.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.12 -0.491 . . . . 73.24 111.075 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-20 -62.63 -38.37 89.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.488 -0.324 . . . . 72.13 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -68.63 -42.63 77.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 72.35 110.26 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -68.74 -32.81 72.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 63.03 110.225 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -80.45 6.67 60.16 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.899 -0.591 . . . . 51.52 112.641 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -91.3 -30.89 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 63.11 110.026 171.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -104.64 -22.09 13.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.76 -0.654 . . . . 74.44 111.825 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -126.21 157.21 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.322 -0.399 . . . . 74.44 110.236 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.7 t -84.86 -178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 70.13 110.468 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.02 -32.7 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.859 -0.61 . . . . 71.34 112.284 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 8.1 tt0 -71.65 -46.74 58.07 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.239 -0.584 . . . . 64.13 110.836 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -66.06 -39.48 90.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.534 0.207 . . . . 62.33 111.223 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -67.01 -33.48 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.631 -0.507 . . . . 71.42 109.631 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.8 -39.94 94.42 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.157 -0.474 . . . . 62.52 110.376 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -59.52 -50.0 75.61 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.975 -0.379 . . . . 74.4 109.975 174.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 55' ' ' PHE . 51.9 tp -54.5 -50.55 67.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 74.35 110.441 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' A' ' 98' ' ' LEU . 34.8 t30 -50.71 -46.91 59.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.265 -0.88 . . . . 62.44 110.989 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -59.33 -44.93 92.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 63.44 111.073 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.5 -44.34 87.33 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.044 0.449 . . . . 75.33 110.078 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.583 HD13 ' HE1' ' A' ' 52' ' ' TYR . 84.3 mt -63.87 -42.94 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 62.52 111.319 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.755 ' HG2' HG21 ' A' ' 93' ' ' THR . 60.9 mtt180 -64.88 -40.38 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.065 -0.254 . . . . 63.23 110.683 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.55 -35.51 81.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 72.33 110.243 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -48.17 68.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.077 -0.511 . . . . 75.33 111.208 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -65.24 -40.5 94.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.534 -0.303 . . . . 72.11 110.944 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.544 ' HA ' HG22 ' A' ' 83' ' ' ILE . 32.8 t70 -62.75 -34.84 78.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 62.21 110.884 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -45.71 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.278 0.561 . . . . 65.44 110.002 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.84 -47.34 69.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.516 -0.765 . . . . 75.5 111.564 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.544 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.6 tt -64.0 -32.27 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.624 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -61.53 -31.55 71.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 74.14 110.256 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.65 1.73 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 74.11 110.779 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.06 24.25 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.079 -0.582 . . . . 71.55 112.462 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.619 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 1.1 t80 -69.34 -55.45 10.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.515 -0.55 . . . . 72.14 109.515 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.71 150.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.758 -0.655 . . . . 62.21 109.446 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.752 HG12 ' HG3' ' A' ' 90' ' ' LYS . 7.2 tt -67.69 -60.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.532 0.206 . . . . 71.01 111.294 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.752 ' HG3' HG12 ' A' ' 89' ' ' ILE . 41.5 mtpt -141.27 168.49 19.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.364 -0.606 . . . . 74.21 109.364 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 75.1 m-20 -86.77 126.27 64.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.876 0.369 . . . . 73.41 111.568 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 14.5 Cg_exo -70.43 -4.56 14.73 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.353 2.702 . . . . 74.41 111.084 172.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.755 HG21 ' HG2' ' A' ' 76' ' ' ARG . 1.8 m -73.39 8.55 1.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.355 -0.839 . . . . 54.14 111.008 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.25 -36.82 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 73.11 110.631 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -96.51 25.38 5.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 65.24 110.473 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.758 ' HB2' ' HE2' ' A' ' 52' ' ' TYR . . . -84.96 74.83 10.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 75.4 111.065 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.37 -16.51 45.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.948 -0.569 . . . . 74.13 110.831 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 72' ' ' ASN . 83.9 mt 59.73 79.31 0.24 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.462 -0.79 . . . . 72.34 110.92 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.93 102.37 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.878 0.37 . . . . 75.02 110.535 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.14 84.86 7.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.498 -0.556 . . . . 61.34 109.498 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.56 ' HB2' HD23 ' A' ' 61' ' ' LEU . 19.6 m -72.5 -1.62 16.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.492 -0.776 . . . . 53.15 111.84 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 60' ' ' GLY . 58.4 t -64.77 -35.45 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.409 . . . . 71.04 110.526 176.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.54 8.29 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 60.03 111.318 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -86.18 154.91 20.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.179 -0.304 . . . . 71.14 110.179 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -128.17 118.32 23.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.965 0.412 . . . . 64.42 111.356 -175.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -72.3 152.07 42.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 71.13 109.495 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -71.91 155.29 40.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.707 0.289 . . . . 74.32 110.952 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.569 -0.53 . . . . 61.25 109.569 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.1 118.39 12.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.787 -0.642 . . . . 71.33 109.298 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.3 t60 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.68 -0.676 . . . . 72.52 109.73 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.875 0.369 . . . . 74.12 110.578 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.42 HG22 ' OH ' ' A' ' 87' ' ' TYR . 20.7 tt -76.38 136.57 24.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-O 121.516 0.674 . . . . 55.41 111.239 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.563 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.0 p -81.77 161.31 23.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 73.25 110.224 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -62.61 -40.9 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.738 -0.21 . . . . 73.43 111.117 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' HE1' ' A' ' 32' ' ' TYR . . . -61.88 -48.68 79.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.987 0.422 . . . . 62.25 110.598 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.37 -38.48 87.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 61.04 110.364 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -64.65 -52.41 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 75.32 111.245 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.61 -46.13 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.164 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 52.6 t80 -67.06 -45.57 76.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.068 -0.515 . . . . 75.51 110.75 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.88 -47.71 85.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.414 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CZ2' ' HE3' ' A' ' 16' ' ' LYS . 56.7 t90 -54.47 -45.23 73.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 71.24 110.882 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 45.0 t80 -65.55 -50.46 65.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 73.33 111.081 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.3 -36.45 63.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 73.52 112.439 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.84 -31.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.589 -0.278 . . . . 74.41 111.711 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 46.7 m-80 -101.78 -77.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.713 0.634 . . . . 73.24 112.713 -170.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -79.43 -15.78 57.24 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.595 0.591 . . . . 61.53 112.595 -167.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.3 tp -49.51 -55.23 23.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.084 0.772 . . . . 63.13 113.084 -174.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 78.2 Cg_endo -81.17 10.39 3.44 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.936 1.757 . . . . 65.44 113.747 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -120.22 -39.73 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.817 -0.353 . . . . 72.32 111.581 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.4 m -83.83 157.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 72.02 111.491 -176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -87.12 169.41 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.629 -0.714 . . . . 55.11 110.293 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 36.5 mt-10 -64.31 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.058 -0.257 . . . . 71.34 111.367 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -42.66 97.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.948 -0.39 . . . . 61.43 109.948 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.509 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -72.06 -33.16 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 54.4 110.476 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 8.5 mtpm? -59.1 -36.2 74.73 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.021 -0.536 . . . . 73.12 110.482 177.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.5 mtt180 -58.48 -42.34 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.538 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -67.8 -48.72 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.753 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.57 -41.82 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 62.2 111.693 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.256 -0.178 . . . . 75.31 111.255 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 33.7 t -65.51 -43.46 90.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.179 -0.674 . . . . 71.34 109.179 174.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.31 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 64.25 110.126 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 54.7 t80 -64.75 -41.11 96.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.415 -0.812 . . . . 75.14 112.304 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 19.5 ptmt -63.95 -37.36 87.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.474 -0.49 . . . . 65.43 110.747 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -73.54 -36.24 65.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.697 0.284 . . . . 74.13 110.691 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.5 -46.78 95.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.368 -0.378 . . . . 50.22 110.405 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.94 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 74.41 110.759 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -41.03 35.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.512 . . . . 72.33 111.305 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -83.62 -43.66 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.11 111.448 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -114.99 86.13 2.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.363 0.601 . . . . 63.45 109.932 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -82.26 -40.01 22.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.553 -0.749 . . . . 64.33 111.019 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 22.75 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.299 0.571 . . . . 75.22 110.193 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.545 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 21.6 tptt -77.91 128.11 33.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.262 -0.881 . . . . 64.21 110.329 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 93.7 mt -68.53 161.14 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.207 -0.294 . . . . 74.55 110.207 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.12 -30.91 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.397 . . . . 64.25 110.533 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -84.72 -4.84 59.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 61.24 111.483 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 13.3 t70 -102.3 9.92 39.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.324 0.583 . . . . 75.13 110.256 -176.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 ' HG2' ' A' ' 42' ' ' LYS . 28.3 mm -93.72 96.04 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.887 -0.597 . . . . 63.04 109.473 175.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -79.56 150.49 31.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.07 -0.514 . . . . 71.34 110.299 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 4.5 ptp180 -62.98 -33.93 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 70.25 110.897 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 p -68.18 -44.43 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.067 -0.515 . . . . 74.35 110.68 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.7 -37.32 86.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.772 -0.649 . . . . 75.51 110.186 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 59.5 t80 -61.99 -37.39 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.411 -0.813 . . . . 65.51 111.358 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.14 -37.33 77.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.057 -0.257 . . . . 71.04 110.916 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.59 -36.43 80.86 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.782 0.325 . . . . 74.02 110.434 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 71' ' ' LEU . 65.3 t80 -62.27 -49.77 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 72.32 110.049 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' A' ' 68' ' ' ILE . 84.9 mt -61.3 -39.47 90.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 74.34 110.359 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.618 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -57.69 -57.12 14.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.84 . . . . 62.43 111.249 -177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.57 -39.47 93.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.16 0.505 . . . . 74.1 110.627 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HE1' ' HB ' ' A' ' 67' ' ' THR . 48.5 t80 -62.98 -47.32 83.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.524 -0.762 . . . . 74.42 110.565 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.88 78.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 116.136 -0.484 . . . . 63.55 112.913 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 83.4 mt -70.21 -13.11 62.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 72.43 111.387 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -120.39 6.66 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 53.33 111.519 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.407 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 74.8 m80 -144.11 -166.46 2.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.438 -0.346 . . . . 74.54 110.336 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.8 t -109.08 179.99 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.199 -0.297 . . . . 45.44 110.199 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 90.9 t80 -65.8 -40.26 91.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.456 -0.338 . . . . 71.23 111.164 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.43 -42.29 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.65 0.241 . . . . 73.42 111.65 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.479 ' HB ' ' HE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -60.25 -47.33 86.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.276 -0.42 . . . . 45.54 111.193 177.65 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 56' ' ' LEU . 15.4 tt -74.39 -34.6 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.709 -0.223 . . . . 72.11 111.216 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HD3' HH11 ' A' ' 69' ' ' ARG . 0.4 OUTLIER -65.54 -49.14 69.99 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.952 -0.388 . . . . 65.4 109.952 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.61 -45.91 88.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.69 -0.686 . . . . 60.44 110.479 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 55' ' ' PHE . 48.5 tp -52.84 -53.86 42.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.692 -0.685 . . . . 75.52 111.237 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.497 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 43.6 t30 -54.45 -42.36 70.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 71.54 110.948 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -46.73 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.952 -0.567 . . . . 64.34 111.157 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -63.38 -47.75 80.76 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.912 0.387 . . . . 75.14 110.657 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.76 -41.29 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.722 -0.672 . . . . 61.13 111.087 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 76' ' ' ARG . 23.5 ttp85 -62.29 -44.07 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.968 -0.382 . . . . 72.44 109.968 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.74 -38.54 88.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.622 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.17 68.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 73.12 110.995 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.5 -38.04 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 75.04 111.138 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.73 -37.27 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.16 -0.473 . . . . 61.33 110.275 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.61 -41.34 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.342 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.16 87.26 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.096 -0.502 . . . . 55.32 110.573 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.4 mt -64.49 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 71.32 110.256 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -62.22 -42.37 99.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.351 -0.841 . . . . 73.13 111.451 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 87' ' ' TYR . 6.7 pt-20 -79.12 -18.68 52.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.768 0.318 . . . . 70.42 110.887 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.33 12.03 55.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.859 -0.686 . . . . 62.44 112.455 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.445 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 19.4 t80 -69.03 -42.5 76.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.023 0.44 . . . . 71.43 110.678 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.68 133.19 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.259 -0.645 . . . . 54.12 109.259 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 tt -76.32 -35.35 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.104 0.409 . . . . 62.31 112.104 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -136.82 154.85 50.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.332 -0.247 . . . . 74.25 110.332 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -137.73 170.54 10.28 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.38 -0.373 . . . . 62.04 111.032 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 19.8 Cg_exo -68.47 -149.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.981 2.454 . . . . 63.4 111.343 168.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.3 p 54.06 17.45 1.41 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.186 0.594 . . . . 73.22 112.182 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.25 -54.43 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.019 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -132.25 19.59 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.26 0.553 . . . . 40.25 110.229 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.33 137.21 37.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 53.44 110.437 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.69 171.97 7.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 63.2 110.752 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 HG12 ' A' ' 68' ' ' ILE . 89.2 mt -123.96 36.41 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.05 111.641 -171.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.22 129.94 37.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.154 -0.618 . . . . 65.32 109.849 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.23 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.588 . . . . 74.21 110.098 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.0 m -79.23 50.54 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 64.34 111.034 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 102' ' ' VAL . 19.7 t -136.13 3.76 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.194 -0.912 . . . . 74.33 109.011 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -128.42 19.84 6.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.782 -0.645 . . . . 51.24 111.497 -171.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -58.75 -22.83 58.76 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.746 0.647 . . . . 75.51 112.746 -175.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 t60 64.28 40.37 6.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.137 0.494 . . . . 51.35 110.422 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -99.97 29.19 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 73.52 111.34 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 67.42 4.78 3.93 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.044 0.538 . . . . 73.3 112.321 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 60.1 t-80 -79.02 -30.06 44.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.072 -0.251 . . . . 72.25 110.518 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 46.1 m-70 69.8 159.82 0.19 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.722 0.639 . . . . 72.24 110.529 -172.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.498 -0.763 . . . . 73.52 109.344 179.338 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 13.9 mmt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.614 0.245 . . . . 73.45 110.614 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -112.81 155.86 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.764 -0.458 . . . . 60.44 109.764 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -73.28 129.42 38.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.44 -0.346 . . . . 75.41 110.434 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.795 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 37.1 t80 -59.13 -43.38 91.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.51 . . . . 62.22 111.505 -174.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -57.1 -50.16 73.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 72.24 111.108 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.14 -37.2 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 71.13 110.861 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 64.0 t80 -61.39 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.376 -0.375 . . . . 72.15 110.379 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.03 -43.11 77.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.762 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -68.51 -47.0 68.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.223 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.9 pt20 -67.5 -33.63 75.48 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.683 -0.407 . . . . 62.41 110.123 -178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 65.1 t90 -58.39 -45.66 87.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.164 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 34.5 t80 -69.65 -49.69 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.957 -0.565 . . . . 75.14 111.136 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -56.38 -40.6 74.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 73.0 111.241 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' GLN . 46.9 t -83.01 -26.64 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 111.98 0.363 . . . . 72.54 111.98 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 20.8 m-20 -108.29 -72.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.399 0.888 . . . . 74.03 113.399 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 69.6 mmtt -82.13 -10.19 59.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.249 0.463 . . . . 71.31 112.249 -165.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.1 tp -49.77 -57.09 13.34 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.327 0.862 . . . . 70.15 113.327 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 86.5 Cg_endo -76.92 3.32 6.68 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.061 1.841 . . . . 73.41 113.8 -173.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.57 -8.62 13.32 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.841 -0.344 . . . . 71.42 111.184 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.4 m -117.06 165.71 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.978 0.418 . . . . 72.31 111.311 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -89.02 168.61 12.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 65.42 109.975 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 28.5 mt-10 -70.45 -23.45 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.931 0.396 . . . . 72.5 110.909 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p -65.01 -38.34 90.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.406 -0.59 . . . . 74.52 109.406 171.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.484 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.2 m -69.6 -32.55 71.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.715 -0.675 . . . . 61.52 110.528 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.1 mttt -54.24 -46.12 72.5 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.661 -0.496 . . . . 71.3 109.661 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -56.15 -43.05 77.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 74.52 111.757 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -56.69 -47.98 78.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.97 0.414 . . . . 63.04 110.767 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.75 -40.21 79.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.553 . . . . 63.1 111.346 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.4 -42.07 92.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.142 -0.223 . . . . 74.44 111.001 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.448 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 69.7 m -61.8 -45.51 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.207 -0.294 . . . . 60.22 110.207 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.94 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 71.1 110.555 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -54.65 -50.48 68.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 71.41 111.802 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 30' ' ' SER . 20.4 pttp -67.03 -31.8 72.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.188 -0.205 . . . . 60.52 111.233 -176.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -73.02 -38.85 66.42 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.683 0.278 . . . . 75.44 110.93 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.9 mt -62.76 -51.3 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 72.53 110.553 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 5' ' ' ALA . 19.9 ptmt -68.36 -26.97 65.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.771 0.32 . . . . 70.3 110.948 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.76 -45.95 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 72.32 110.854 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -86.5 -50.46 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 72.34 111.17 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 81.2 m-85 -89.67 59.99 4.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.302 0.572 . . . . 74.03 110.607 -176.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 23.8 mmt180 -55.84 111.45 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.093 -0.958 . . . . 74.12 111.209 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.25 27.43 15.18 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.508 0.505 . . . . 75.14 111.735 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 14.6 tptt -78.8 132.73 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.958 0.408 . . . . 53.4 110.749 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 1' ' ' MET . 91.1 mt -69.38 155.44 40.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.623 . . . . 71.34 110.365 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 5.3 tt -61.02 -40.9 95.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.229 0.538 . . . . 72.53 110.05 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.69 -1.29 57.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.62 -0.718 . . . . 61.34 111.726 -176.856 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 28.4 t70 -93.37 -7.13 45.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.399 0.619 . . . . 64.2 110.085 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' HG3' ' A' ' 92' ' ' PRO . 28.4 mm -67.76 127.74 29.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.848 -0.797 . . . . 71.15 108.848 174.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -113.24 152.48 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.913 -0.403 . . . . 74.12 109.913 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 49' ' ' ARG . 11.8 ptt180 -66.09 -37.88 86.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.27 . . . . 61.04 111.509 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.2 p -70.5 -29.7 66.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.091 0.472 . . . . 75.01 110.705 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.94 -38.44 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.798 -0.637 . . . . 70.03 109.959 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.27 -39.49 82.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.361 -0.836 . . . . 72.3 110.997 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -58.85 -40.81 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.518 -0.31 . . . . 74.54 110.542 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 50' ' ' THR . 96.9 mttt -55.51 -41.9 73.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.265 -0.425 . . . . 72.01 110.761 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 71' ' ' LEU . 79.1 t80 -63.43 -44.19 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 74.12 110.314 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 68' ' ' ILE . 96.8 mt -63.55 -41.71 98.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.22 111.084 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.596 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.7 m-20 -54.91 -52.84 61.66 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.648 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.34 -38.19 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 72.33 111.207 -175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -64.87 -38.76 92.04 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.891 0.377 . . . . 72.44 110.268 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 3.91 57.17 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.753 -0.658 . . . . 42.11 112.769 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' ' 101' ' ' SER . 98.5 mt -90.47 -11.51 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.34 110.715 176.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -131.11 2.85 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.013 0.375 . . . . 72.24 112.013 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -137.98 166.93 22.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.627 0.251 . . . . 74.31 110.981 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -86.48 168.73 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.303 -0.408 . . . . 53.31 110.728 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' HE2' HH11 ' A' ' 69' ' ' ARG . 75.8 t80 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 72.14 112.067 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.15 -34.96 78.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 52.55 110.081 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -62.71 -46.31 88.72 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.614 -0.721 . . . . 55.44 110.556 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 65' ' ' TYR . 14.1 tt -70.21 -33.42 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.553 -0.294 . . . . 74.02 110.701 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.865 ' HG2' HD13 ' A' ' 98' ' ' LEU . 11.2 mtm180 -59.61 -51.09 71.3 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.907 0.384 . . . . 74.55 110.667 175.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -69.86 -33.87 72.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.926 -0.579 . . . . 65.33 111.004 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 55' ' ' PHE . 24.5 tp -52.91 -55.77 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.25 0.548 . . . . 75.22 109.717 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.2 -39.32 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.169 -0.923 . . . . 73.2 110.913 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.7 m -58.79 -44.91 90.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.106 -0.497 . . . . 53.13 111.717 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -65.83 -46.91 76.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.249 0.547 . . . . 72.12 109.72 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 80.3 mt -60.91 -45.31 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.212 -0.904 . . . . 70.12 111.109 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -65.07 -37.79 88.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.651 -0.25 . . . . 65.52 111.565 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.45 -38.89 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.466 -0.568 . . . . 72.14 109.466 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.12 83.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.109 -0.496 . . . . 55.01 110.993 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 91' ' ' ASN . 36.7 m-85 -63.98 -47.71 79.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.07 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.96 -38.66 89.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.118 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.46 -45.47 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.206 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -59.42 -48.67 80.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.842 -0.617 . . . . 74.44 110.233 175.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.75 -38.2 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 74.34 110.69 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -58.21 -39.38 78.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.262 -0.881 . . . . 55.21 111.788 -173.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -92.61 -36.64 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.698 -0.401 . . . . 75.23 110.624 176.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.64 20.97 2.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.953 -0.641 . . . . 71.23 112.045 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 40.8 t80 -72.44 -28.62 63.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.543 . . . . 61.31 110.137 -178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.25 154.98 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 64.11 109.26 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.484 HG23 ' HG2' ' A' ' 90' ' ' LYS . 7.5 tp -75.99 -42.18 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.891 0.33 . . . . 74.14 111.891 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HG2' HG23 ' A' ' 89' ' ' ILE . 17.4 pttm -161.39 -177.17 5.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.854 0.359 . . . . 73.23 111.201 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 18.8 p30 -117.73 147.44 41.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 54.24 111.384 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 47' ' ' ILE . 76.4 Cg_endo -87.71 14.78 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 123.125 2.55 . . . . 74.52 112.677 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.1 p -85.54 26.56 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 70.25 111.447 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -63.7 -42.52 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 73.22 110.195 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -116.82 108.08 15.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 74.02 109.871 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.11 79.41 1.67 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 42.01 109.811 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -85.73 107.9 17.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.299 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 69' ' ' ARG . 59.2 mt -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.512 -0.767 . . . . 74.04 110.846 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -118.82 109.14 15.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.848 -0.614 . . . . 71.04 110.407 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.49 97.64 11.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.008 -0.542 . . . . 62.1 109.901 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' ' 61' ' ' LEU . 32.0 t -91.12 82.54 5.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.464 0.65 . . . . 75.51 109.917 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.0 t -141.66 -35.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.371 -0.832 . . . . 74.2 109.724 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -100.2 111.13 23.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 72.03 111.468 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -120.96 143.61 48.91 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.305 -0.628 . . . . 74.21 109.305 171.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -123.78 127.4 48.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.96 0.409 . . . . 65.32 110.386 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -89.86 102.74 15.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.231 -0.655 . . . . 73.01 109.231 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -100.52 143.29 30.87 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.877 -0.329 . . . . 73.33 110.232 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -81.14 118.58 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.078 -0.712 . . . . 73.0 109.078 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -94.19 145.59 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.103 0.478 . . . . 63.23 111.373 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 . . . . . 0 C--O 1.242 0.686 0 CA-C-N 115.429 -0.805 . . . . 71.53 109.269 171.104 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.287 0.565 . . . . 73.12 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 7' ' ' TYR . 16.5 tt -97.99 151.61 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 75.01 111.461 -174.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 1.3 p -67.32 149.23 50.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 55.02 111.093 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.795 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -55.04 39.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.987 0.422 . . . . 62.11 110.62 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -42.95 90.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.572 -0.74 . . . . 73.32 110.513 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.506 ' HB2' HG23 ' A' ' 2' ' ' ILE . 88.7 t80 -59.58 -46.98 87.32 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.037 -0.529 . . . . 75.11 110.972 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.61 -46.02 81.14 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.448 0.468 . . . . 72.25 110.81 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.77 -47.65 74.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 73.32 110.754 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -61.23 -46.79 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 54.33 110.317 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -55.71 -48.43 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 74.21 110.775 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.473 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.0 t80 -61.89 -54.71 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 73.15 111.307 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.752 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 28.0 tt0 -63.78 -28.76 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.414 -0.357 . . . . 71.34 111.759 -171.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.53 -28.32 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.173 -0.329 . . . . 71.41 111.707 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -111.54 -43.7 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.493 0.923 . . . . 73.41 113.493 -170.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 5.4 mptp? -108.56 -14.73 14.58 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.416 0.524 . . . . 75.45 112.416 -171.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.752 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 12.8 tp -48.33 -57.58 10.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.232 0.827 . . . . 71.2 113.232 -173.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 8.7 Cg_endo -86.21 17.51 1.74 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.514 2.143 . . . . 75.11 112.956 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -122.08 -0.47 9.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 73.14 110.717 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.726 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.5 m -127.33 152.36 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.398 . . . . 73.13 111.04 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -87.77 176.96 7.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 73.45 111.054 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.16 -31.37 68.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.639 -0.709 . . . . 74.22 111.756 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 p -62.84 -50.0 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.406 . . . . 64.53 110.411 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.726 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -70.3 -31.46 68.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 74.41 110.702 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 50.7 mttm -56.98 -51.54 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 65.24 110.542 175.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.96 -28.43 68.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.092 -0.504 . . . . 71.55 111.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' THR . 20.1 m-70 -56.44 -51.25 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.07 0.462 . . . . 71.03 109.92 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.12 -40.84 95.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.797 -0.638 . . . . 52.23 111.255 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.7 -37.59 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 61.2 111.099 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.4 m -67.48 -41.58 84.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.437 . . . . 65.01 110.177 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.06 77.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.957 -0.565 . . . . 61.34 110.503 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -58.3 -42.0 85.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.578 . . . . 73.0 111.673 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -69.73 -31.78 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.447 -0.501 . . . . 65.4 111.174 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -77.48 -34.29 54.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.035 0.445 . . . . 65.21 110.674 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.05 -50.2 71.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.118 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -62.25 -28.09 69.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 73.44 110.822 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.53 -45.52 75.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 71.41 111.415 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -86.59 -44.77 11.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 64.02 111.118 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -113.14 97.63 6.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.157 -0.474 . . . . 54.14 109.73 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -91.3 -48.52 6.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.713 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -130.88 31.5 4.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 72.43 111.212 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -87.91 127.26 35.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.005 -0.543 . . . . 63.43 109.793 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 85.2 mt -63.43 157.32 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 70.25 110.578 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -54.93 -41.76 71.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.131 0.491 . . . . 71.33 110.721 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -87.66 -3.9 58.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 62.31 111.573 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.2 t70 -92.31 -13.54 30.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.032 0.444 . . . . 61.43 110.016 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.5 107.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.803 -0.635 . . . . 73.13 110.472 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.56 136.7 39.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.978 -0.555 . . . . 74.34 109.726 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.08 -28.38 70.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 74.24 111.187 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -66.72 -45.22 79.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.396 -0.365 . . . . 73.41 110.396 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.76 -31.03 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 61.31 110.562 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 75' ' ' ILE . 63.7 t80 -60.11 -37.89 81.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 75.23 110.016 174.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.96 -37.58 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 72.55 110.579 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.936 0.398 . . . . 75.54 110.143 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.2 t80 -57.75 -44.52 86.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.332 -0.849 . . . . 74.21 110.403 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.22 -43.09 78.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 71.34 111.253 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -60.35 -49.52 77.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.511 -0.313 . . . . 70.3 110.692 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.01 -44.63 84.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 71.44 110.173 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.63 -37.55 87.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 74.25 110.488 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.74 -1.05 82.91 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.052 -0.522 . . . . 75.12 112.931 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.9 mt -90.19 -16.92 28.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 73.04 110.165 174.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.2 p -119.99 2.53 10.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 55.33 111.93 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -139.89 160.83 39.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 65.12 111.38 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 t -80.53 169.5 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 71.11 110.231 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.1 0.408 . . . . 63.22 112.1 -173.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.42 -34.35 72.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.387 -0.525 . . . . 71.2 111.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -64.59 -44.85 89.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.496 -0.32 . . . . 74.02 110.478 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 14.7 tt -71.55 -33.18 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.679 0.276 . . . . 62.11 110.298 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -56.48 -49.9 73.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.365 -0.379 . . . . 75.21 110.514 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.79 -50.09 69.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.908 0.385 . . . . 63.21 110.597 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.9 tp -52.91 -51.63 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.506 -0.77 . . . . 71.11 110.865 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.07 -38.26 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.932 -0.576 . . . . 73.42 110.913 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -59.77 -45.98 90.58 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.268 -0.423 . . . . 64.42 110.704 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -63.99 -45.9 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 73.43 110.346 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 52' ' ' TYR . 64.3 mt -63.84 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 74.01 110.878 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -56.69 -50.31 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.193 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -64.7 -37.13 86.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.518 -0.764 . . . . 65.24 111.206 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.95 61.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 71.14 111.281 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.458 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 31.2 m-85 -65.1 -41.64 94.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 74.31 111.215 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.552 ' O ' HG22 ' A' ' 83' ' ' ILE . 36.1 t70 -62.44 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 75.42 110.852 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.65 -42.21 87.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 54.23 110.083 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.39 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 65.33 111.362 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 80' ' ' ASP . 11.8 tt -68.79 -29.4 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.772 -0.195 . . . . 54.11 110.588 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -54.96 -31.92 61.07 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.397 . . . . 74.22 110.407 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -95.49 -11.32 27.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.31 110.668 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 12.77 82.43 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.058 -0.817 . . . . 63.43 111.058 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.95 -27.57 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 64.11 110.697 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.09 159.5 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.882 -0.599 . . . . 61.02 109.605 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.53 -164.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.764 0.316 . . . . 74.22 110.86 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -53.98 124.14 14.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.354 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 93.3 m-20 -50.29 126.7 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.222 -0.899 . . . . 61.01 112.452 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 32.4 Cg_exo -60.42 -9.1 10.02 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.657 2.904 . . . . 72.43 112.928 178.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.9 p -72.68 5.22 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.169 0.509 . . . . 61.44 110.457 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.417 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 56.9 t80 -51.38 -35.67 39.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.051 -0.977 . . . . 74.13 110.574 172.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG2' ' HD2' ' A' ' 94' ' ' TYR . 74.3 mmtt -122.89 87.88 2.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.897 -0.592 . . . . 74.15 109.714 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.99 86.98 2.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.35 0.595 . . . . 71.43 111.284 -177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.68 110.65 23.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.846 -0.616 . . . . 53.42 110.475 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 80.6 mt -86.16 74.14 10.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.63 . . . . 60.05 110.12 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -98.54 82.36 2.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.971 -0.559 . . . . 64.33 110.451 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 98.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 31.11 109.276 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 61' ' ' LEU . 5.1 m -77.15 -0.88 26.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 61.12 111.22 -170.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.595 ' HB ' HD12 ' A' ' 103' ' ' LEU . 47.2 t -71.31 -36.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.725 -0.67 . . . . 71.13 110.417 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.595 HD12 ' HB ' ' A' ' 102' ' ' VAL . 6.2 mp -99.92 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.071 -0.513 . . . . 51.32 111.495 -173.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -108.8 113.96 27.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.85 -0.796 . . . . 73.12 108.85 169.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -73.72 -31.57 63.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 71.52 109.467 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -79.31 170.9 15.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.153 -0.931 . . . . 74.42 108.637 172.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -134.84 108.74 8.1 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.758 -0.589 . . . . 74.01 110.029 173.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -129.72 143.81 50.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 72.23 110.716 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -164.3 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.555 -0.748 . . . . 73.25 109.026 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.455 -0.783 . . . . 73.42 109.566 176.036 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.98 0.419 . . . . 63.44 110.768 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 3' ' ' THR . 12.4 tt -143.83 157.92 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 2' ' ' ILE . 6.4 p -76.38 143.07 40.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.519 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 29.0 t80 -60.7 -45.76 92.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.444 -0.344 . . . . 70.03 111.808 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.49 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.029 0.443 . . . . 70.13 110.699 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -41.67 97.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 72.31 110.859 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.38 -46.91 88.2 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.623 -0.262 . . . . 73.41 110.796 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -59.77 -44.22 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.386 . . . . 75.14 110.349 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.2 -47.02 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 74.4 110.582 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.8 tt0 -60.43 -48.73 80.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.161 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.6 t90 -54.04 -52.33 61.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 71.31 110.456 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.5 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 14.6 t80 -60.13 -47.09 87.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.222 -0.445 . . . . 74.2 111.408 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.633 ' HG3' HD22 ' A' ' 17' ' ' LEU . 32.7 tt0 -63.3 -20.94 65.93 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.25 -174.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 42.0 t -97.54 -33.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 70.42 111.053 176.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.3 t-20 -92.66 -53.39 4.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.742 0.645 . . . . 74.1 112.742 -164.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 20' ' ' VAL . 74.2 mmtt -114.12 -9.78 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.671 -0.412 . . . . 65.11 112.028 -169.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 28.1 tp -54.24 -55.26 38.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.871 0.693 . . . . 75.15 112.871 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.8 Cg_endo -85.57 17.89 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.113 1.875 . . . . 71.2 112.971 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -123.71 -46.21 2.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 73.25 111.424 -175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 24.5 m -79.73 161.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.488 -0.324 . . . . 44.13 111.067 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 41.9 m -82.67 170.04 15.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 25.41 110.25 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 pm0 -61.03 -27.02 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.35 111.832 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 p -63.33 -51.34 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.734 0.302 . . . . 75.44 110.465 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 19.2 m -66.94 -31.35 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 52.23 110.343 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 97.3 mttt -59.16 -41.82 89.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.654 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -74.01 -28.8 61.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 72.42 111.204 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -60.85 -47.37 86.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.063 -0.347 . . . . 64.55 110.063 172.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 35.6 m-85 -61.39 -40.16 93.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.083 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -59.87 -46.05 90.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 75.05 110.713 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 45.0 m -62.47 -44.99 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.936 -0.575 . . . . 74.13 110.384 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -49.68 76.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.094 -0.503 . . . . 54.54 110.731 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.26 -39.8 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 74.41 111.895 -177.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 30' ' ' SER . 14.1 ptmm? -66.69 -34.93 78.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.54 -0.464 . . . . 71.24 110.577 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -71.19 -38.46 72.1 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.909 0.385 . . . . 75.42 110.028 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.63 -44.72 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 72.53 110.484 176.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.8 ttmm -59.41 -32.43 70.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.606 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.77 -48.31 15.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 73.43 111.92 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.89 -35.0 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.664 0.268 . . . . 71.23 110.943 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 75.4 m-85 -123.46 75.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 62.03 110.737 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 15.6 mtp180 -76.75 95.91 4.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.372 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 m170 65.16 31.25 11.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.507 -0.77 . . . . 74.35 111.133 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 43.2 tptt -78.68 132.16 36.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.328 -0.851 . . . . 61.12 109.155 173.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 96.8 mt -61.7 138.46 58.32 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.6 pt? -60.57 -31.46 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.17 0.509 . . . . 65.33 111.21 -174.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -90.59 3.42 54.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.987 -0.551 . . . . 74.12 110.952 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 19.8 t70 -102.52 -2.14 29.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.318 0.58 . . . . 73.0 109.631 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG13 ' CE1' ' A' ' 39' ' ' PHE . 1.8 mp -69.5 115.65 8.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.708 -0.678 . . . . 74.32 109.2 172.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -72.76 149.72 43.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.615 . . . . 55.13 109.674 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' ' 92' ' ' PRO . 1.2 mpp_? -58.38 -36.15 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.348 0.594 . . . . 72.13 109.746 177.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 6.7 p -70.88 -39.12 73.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.395 -0.821 . . . . 73.43 111.298 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -62.46 -41.92 99.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.503 0.192 . . . . 75.11 111.336 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.3 t80 -64.79 -41.4 95.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.373 -0.376 . . . . 73.4 109.997 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -64.38 -43.61 93.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.34 109.787 177.077 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' THR . 67.7 mttm -60.31 -42.46 95.6 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.828 0.346 . . . . 62.35 110.94 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 71' ' ' LEU . 87.6 t80 -58.33 -41.12 83.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 64.21 110.37 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' ILE . 95.0 mt -66.95 -37.73 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 62.44 110.642 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 9.3 m120 -60.59 -51.37 69.68 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.879 -0.415 . . . . 74.25 109.879 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.412 -0.813 . . . . 60.1 111.212 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -70.85 -35.96 72.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.542 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.53 -1.58 77.07 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.998 -0.546 . . . . 74.4 112.734 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 101' ' ' SER . 96.0 mt -90.69 -16.33 28.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 73.23 110.422 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 p -122.61 -9.42 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.514 0.561 . . . . 73.13 112.514 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -135.76 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 72.2 112.066 -173.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -80.6 168.36 18.98 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.352 -0.84 . . . . 61.0 110.768 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.94 -45.94 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.21 111.524 -174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -63.0 -33.47 75.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.38 -0.528 . . . . 73.25 110.205 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -66.18 -49.21 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.975 -0.557 . . . . 54.53 110.659 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.9 tt -67.47 -34.74 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.96 0.41 . . . . 71.42 110.454 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.08 -42.01 99.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.066 0.46 . . . . 75.44 110.426 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -71.37 -38.16 71.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 71.32 110.095 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.5 tp -56.7 -51.67 67.89 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.987 -0.552 . . . . 61.4 110.721 173.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.423 HD21 ' NH2' ' A' ' 76' ' ' ARG . 32.7 t30 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.447 -0.797 . . . . 75.32 110.358 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -61.38 -47.98 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 52.14 110.704 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -53.41 -54.21 40.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.082 0.468 . . . . 45.22 111.04 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.435 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.6 mt -65.57 -36.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 73.52 110.952 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' NH2' HD21 ' A' ' 72' ' ' ASN . 13.1 ttm180 -66.18 -37.53 85.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 64.25 110.604 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -66.19 -42.05 89.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.437 -0.347 . . . . 74.42 110.302 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.95 89.99 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.115 -0.493 . . . . 41.45 110.878 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' HB3' ' CG ' ' A' ' 91' ' ' ASN . 25.2 m-85 -71.0 -30.62 66.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 64.02 111.731 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 t70 -60.37 -40.1 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.626 -0.509 . . . . 72.33 109.626 174.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 3.0 m-20 -69.93 -41.07 75.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.499 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.42 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 54.31 111.185 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.43 -32.5 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.091 0.472 . . . . 71.25 110.391 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 51.7 t-80 -64.64 -29.3 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.263 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 36.6 mm-40 -99.08 -3.35 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 65.14 110.713 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.76 27.83 52.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.911 -0.661 . . . . 65.43 112.386 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.845 -0.428 . . . . 74.4 109.845 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.673 HG22 ' HB3' ' A' ' 45' ' ' LYS . 52.4 t -108.07 130.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.986 -0.552 . . . . 63.51 109.92 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.598 HG12 ' HG2' ' A' ' 90' ' ' LYS . 8.2 tt -67.94 -50.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.516 -178.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.598 ' HG2' HG12 ' A' ' 89' ' ' ILE . 31.9 mmmt -129.18 109.78 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.731 -0.47 . . . . 44.14 109.731 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 97.2 m-20 -58.13 136.74 84.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 52.31 111.939 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 12.9 Cg_exo -72.14 12.15 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.711 2.941 . . . . 75.42 112.988 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -80.31 -12.31 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.356 0.598 . . . . 63.43 110.714 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -70.78 141.5 51.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.49 -0.777 . . . . 72.22 109.992 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm 74.62 -6.61 1.88 Allowed 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.506 0.504 . . . . 54.32 111.531 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.3 136.46 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.882 0.372 . . . . 61.4 110.713 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 45.2 mt-10 -136.07 156.8 48.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.343 -0.389 . . . . 73.03 110.892 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.38 144.83 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 73.14 109.951 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -157.53 90.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 74.44 110.596 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.71 99.28 10.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.364 -0.606 . . . . 62.21 109.364 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.6 ' HB3' HD23 ' A' ' 61' ' ' LEU . 18.1 t -87.19 4.78 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.183 0.516 . . . . 75.14 111.039 -172.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.17 -16.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.356 0.598 . . . . 72.14 110.214 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.36 105.49 13.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 34.51 111.706 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -123.43 114.85 20.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 63.24 109.694 172.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -71.48 -18.45 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.066 0.46 . . . . 74.41 109.906 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -143.35 104.74 4.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.073 -0.714 . . . . 72.21 109.073 172.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -93.42 164.04 13.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.916 -0.314 . . . . 72.22 110.175 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -99.06 115.65 29.49 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.504 -0.554 . . . . 64.15 109.504 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -66.68 123.56 20.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 74.15 110.594 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.811 -0.614 . . . . 70.21 109.637 177.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 tpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.993 -0.373 . . . . 74.31 109.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.427 HG22 ' HE2' ' A' ' 87' ' ' TYR . 11.2 tp -85.71 153.04 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.259 0.552 . . . . 72.12 111.201 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.5 p -82.37 141.52 32.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 64.51 110.071 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.36 -46.42 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.315 0.385 . . . . 73.42 111.983 -174.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.55 -55.26 36.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.038 0.447 . . . . 65.12 111.225 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.25 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 74.21 111.114 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -65.84 -46.24 79.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 74.12 110.392 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.28 -45.59 87.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.868 -0.605 . . . . 72.42 110.455 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.73 -47.38 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.899 -0.591 . . . . 73.33 110.732 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -47.38 84.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.273 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.1 t90 -55.03 -39.29 68.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.601 . . . . 72.55 110.918 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.579 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 20.2 t80 -73.63 -53.48 10.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.307 -0.406 . . . . 75.34 111.27 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 17' ' ' LEU . 40.8 tt0 -61.24 -38.1 85.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.951 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -83.82 -18.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.838 0.351 . . . . 65.21 111.475 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 85.8 m-20 -116.31 -68.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.763 0.653 . . . . 63.21 112.763 -173.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 70.6 mmtt -86.2 -17.99 33.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.33 0.493 . . . . 73.55 112.33 -165.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' HG3' ' A' ' 13' ' ' GLU . 26.3 tp -55.61 -55.04 44.79 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 112.998 0.74 . . . . 73.12 112.998 -174.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.3 Cg_endo -64.8 -6.1 11.84 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.651 2.234 . . . . 75.22 114.367 -173.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -103.67 -13.25 16.57 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.013 -0.275 . . . . 62.04 111.434 -174.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 21.3 m -119.62 179.13 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 73.03 111.553 -174.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -120.9 -177.42 3.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 74.41 109.827 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 78.8 mm-40 -49.44 -36.44 22.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 72.12 112.14 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -57.08 -43.94 82.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 64.52 111.418 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 27.8 m -80.68 -31.35 36.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 73.03 110.493 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 22' ' ' GLU . 10.4 mtpm? -56.94 -41.41 78.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.071 -0.513 . . . . 70.45 110.706 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 49.3 mtt180 -54.3 -45.9 72.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.374 -0.376 . . . . 71.32 110.823 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.29 -49.33 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 60.21 110.929 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -61.69 -46.84 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.469 -0.332 . . . . 71.4 111.746 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.72 -48.35 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 63.02 111.72 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 p -68.23 -31.25 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.89 -0.324 . . . . 61.42 110.995 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.46 -50.57 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 73.14 109.995 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -58.05 -35.91 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.58 -0.736 . . . . 65.21 110.741 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -66.21 -43.61 86.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.396 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.01 -37.1 86.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.845 0.355 . . . . 64.34 110.707 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.3 mt -62.51 -50.77 78.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.52 110.291 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.1 -28.22 69.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 71.55 110.582 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.08 -41.39 77.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.92 -0.582 . . . . 64.43 111.176 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -87.53 -39.83 14.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 73.41 111.455 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 61.5 m-85 -122.74 92.29 3.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 70.12 109.577 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -76.22 -52.63 9.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.169 0.509 . . . . 73.52 110.815 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.27 23.34 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.424 0.631 . . . . 75.42 110.054 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 13.9 tptp -67.82 126.06 28.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.094 -0.957 . . . . 70.31 109.512 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 82.3 mt -62.94 146.6 52.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 63.4 110.763 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -53.5 -43.77 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.552 0.532 . . . . 75.34 111.458 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -79.28 -4.42 50.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 65.12 111.722 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.7 t70 -100.76 -7.56 23.6 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.104 -0.238 . . . . 65.03 111.133 -172.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.26 110.81 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.309 0.576 . . . . 74.22 109.542 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.668 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 55.1 mtpt -83.0 145.58 29.25 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.763 -0.653 . . . . 65.44 109.949 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.705 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 22.6 mtt180 -61.9 -30.76 71.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 70.11 110.695 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -28.49 65.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 62.13 110.795 177.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.668 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 41.1 mt-10 -76.05 -46.04 31.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.04 0.447 . . . . 72.34 109.897 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 75' ' ' ILE . 28.9 t80 -60.99 -35.48 76.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.445 -0.798 . . . . 72.51 110.763 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -53.32 55.17 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.575 -0.528 . . . . 64.34 109.575 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.92 -40.85 90.27 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.356 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.1 t80 -55.15 -45.4 75.65 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.044 -0.526 . . . . 62.43 111.47 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.42 -33.3 67.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 64.13 111.314 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -59.28 -51.34 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 73.22 110.558 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.19 -31.6 71.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 73.41 110.848 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -73.69 -35.35 65.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 75.01 109.916 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.66 -2.81 90.13 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.856 -0.611 . . . . 75.41 112.638 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 101' ' ' SER . 92.1 mt -90.55 -17.27 27.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.23 110.409 174.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 p -118.27 -32.76 4.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 51.52 112.346 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.29 154.59 24.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.932 0.396 . . . . 65.42 111.455 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 m -64.8 163.72 13.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.716 -0.675 . . . . 71.25 111.199 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -60.43 -44.34 95.88 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.425 -0.352 . . . . 54.31 111.544 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.34 -30.32 71.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.894 0.378 . . . . 53.22 110.325 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -70.53 -46.72 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 53.44 110.672 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.06 -33.92 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.817 0.341 . . . . 72.23 110.423 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -58.83 -50.07 75.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 62.12 111.158 177.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.78 -35.58 78.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.67 -0.412 . . . . 62.32 110.1 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.766 HD13 ' HB1' ' A' ' 31' ' ' ALA . 47.6 tp -59.24 -49.46 77.77 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.576 -0.284 . . . . 73.15 110.348 176.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' A' ' 98' ' ' LEU . 24.4 t30 -51.72 -44.61 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 71.42 110.338 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -44.41 97.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 61.12 110.674 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -62.07 -44.61 96.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.285 -0.265 . . . . 74.1 110.285 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.5 mm -58.8 -48.49 86.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.357 178.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 93' ' ' THR . 77.2 mtp180 -59.13 -49.2 78.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 62.21 110.82 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -64.14 -40.43 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.279 . . . . 40.12 111.582 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.71 86.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.311 . . . . 70.43 111.063 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 83' ' ' ILE . 32.9 m-85 -71.19 -37.96 72.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.528 -0.305 . . . . 74.33 111.19 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.89 -35.43 80.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 72.33 110.377 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -48.89 79.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 73.23 109.321 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.07 82.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.358 -0.837 . . . . 74.1 111.005 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 79' ' ' PHE . 18.7 mm -59.56 -47.38 91.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 71.14 110.653 175.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.76 -38.65 91.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.66 -0.7 . . . . 74.52 110.976 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -78.9 -15.49 58.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.831 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.41 26.72 46.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.124 -0.56 . . . . 31.53 111.779 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.427 ' HE2' HG22 ' A' ' 2' ' ' ILE . 28.5 t80 -92.26 -28.25 17.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.79 0.329 . . . . 72.32 111.388 -174.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.3 151.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.741 -0.466 . . . . 62.05 109.741 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.8 tt -74.07 -49.61 32.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.527 0.566 . . . . 63.12 112.527 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -153.15 154.94 35.77 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.693 0.282 . . . . 63.44 111.317 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -74.08 135.43 76.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 73.21 110.109 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.705 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 Cg_endo -76.7 0.44 9.58 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 25.3 111.857 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.604 HG21 ' HG2' ' A' ' 76' ' ' ARG . 13.5 p -73.4 86.8 1.52 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.446 0.641 . . . . 72.43 110.316 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 49' ' ' ARG . 78.8 t80 -117.83 -65.31 1.19 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.128 -0.942 . . . . 74.55 109.403 -177.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 15.4 ptpt -112.08 34.47 4.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.179 -0.919 . . . . 74.23 109.447 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.84 79.99 8.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.258 -0.883 . . . . 71.21 110.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.16 134.03 44.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.763 -0.653 . . . . 65.42 110.372 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.6 mt -85.03 114.72 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 65.03 110.706 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -142.65 104.0 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.142 -0.481 . . . . 63.34 109.993 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.45 119.95 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.851 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.646 ' HB2' HD23 ' A' ' 61' ' ' LEU . 53.6 m -119.9 32.67 5.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.302 0.572 . . . . 53.51 110.321 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.7 t -71.78 -21.09 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.17 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 103' ' ' LEU . 1.7 pp -125.2 142.15 51.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.702 0.763 . . . . 70.44 112.684 -174.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -122.54 158.68 29.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.49 -1.3 . . . . 72.45 107.49 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -55.93 150.02 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 71.1 111.318 -176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -77.7 52.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.48 -0.782 . . . . 55.2 110.596 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -84.18 -16.99 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 73.41 111.22 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -124.97 136.25 53.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.475 -0.565 . . . . 70.35 109.475 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -112.67 127.62 56.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.262 -0.426 . . . . 73.2 110.312 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.59 -0.719 . . . . 71.14 109.358 178.256 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.029 -0.36 . . . . 62.15 110.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.0 tt -134.67 161.17 40.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 75.33 109.416 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -66.31 133.99 51.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.547 0.213 . . . . 74.32 110.608 176.118 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.636 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 30.5 t80 -61.89 -36.44 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 71.33 111.431 -175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 71.34 110.584 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.21 -38.81 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 61.31 110.639 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' HG23 ' A' ' 2' ' ' ILE . 89.1 t80 -59.85 -48.08 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 73.41 110.97 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.22 -49.01 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.03 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.55 -42.45 87.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 61.33 110.978 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.28 -46.45 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.293 . . . . 74.2 110.253 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -54.72 -46.38 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 73.1 110.179 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 6.2 t80 -60.03 -49.17 78.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 74.24 111.276 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.766 ' HG3' HD22 ' A' ' 17' ' ' LEU . 31.6 tt0 -70.13 -10.28 58.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.098 0.475 . . . . 74.51 111.243 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.14 -26.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.381 . . . . 52.53 111.589 176.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -110.95 -33.3 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.55 0.945 . . . . 74.13 113.55 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.9 mmtt -117.23 -22.78 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.229 0.455 . . . . 71.1 112.229 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.772 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 18.3 tp -47.94 -59.22 6.13 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.485 0.92 . . . . 54.42 113.485 -169.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 13.4 Cg_endo -91.0 19.51 1.11 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.371 2.047 . . . . 63.21 112.802 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -121.62 -50.51 2.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 74.32 111.436 -174.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 16' ' ' LYS . 21.9 m -81.2 164.46 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 72.15 111.036 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -72.79 160.15 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.507 -0.315 . . . . 51.0 110.526 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 42.3 mt-10 -69.96 -23.39 63.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 54.45 110.286 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -61.83 -43.23 99.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.986 -0.746 . . . . 75.2 108.986 171.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 28' ' ' TYR . 63.3 m -66.33 -36.95 84.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.541 -0.754 . . . . 74.12 110.511 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 98.7 mttt -55.87 -37.01 68.23 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.67 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.82 -33.69 76.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 64.15 110.686 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -68.87 -36.97 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.45 110.116 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HE2' HG22 ' A' ' 24' ' ' THR . 62.3 m-85 -65.78 -38.21 88.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.45 110.73 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.34 -50.97 71.26 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.145 -0.317 . . . . 74.12 110.145 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 t -61.0 -44.47 97.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 74.22 110.602 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.87 -56.13 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.87 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.05 -42.65 90.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.599 -0.728 . . . . 71.24 112.011 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -69.6 -34.11 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.792 -0.363 . . . . 73.04 111.335 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -75.75 -35.86 60.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 63.13 110.481 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.1 mt -62.38 -51.09 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 72.22 110.635 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.2 ptmt -69.1 -26.99 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 44.15 110.711 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.23 -47.74 84.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.03 -0.532 . . . . 74.12 110.909 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -84.84 -51.19 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.285 -0.416 . . . . 72.14 111.25 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m-85 -92.55 52.07 1.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.423 . . . . 74.23 111.196 -174.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 36' ' ' LYS . 13.6 mtm180 -60.9 108.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.887 -0.597 . . . . 72.41 111.189 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.29 25.22 14.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.424 -0.807 . . . . 73.35 111.643 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 2.0 tpmt? -84.42 127.96 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.191 -0.459 . . . . 72.25 109.975 176.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.37 153.45 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.31 111.387 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 tp -53.97 -45.12 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.502 -0.772 . . . . 73.43 112.155 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -82.78 -7.86 59.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.563 -0.29 . . . . 74.22 111.587 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.51 6.33 45.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.144 0.497 . . . . 72.3 110.549 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.65 HD13 ' HG2' ' A' ' 42' ' ' LYS . 47.1 mm -68.71 114.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.992 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.55 126.43 30.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 64.04 109.436 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -63.19 -31.69 72.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 70.04 111.036 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -70.63 -40.41 73.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 54.35 110.586 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 65.03 109.933 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 75' ' ' ILE . 53.7 t80 -64.63 -43.51 93.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 71.41 110.962 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.32 -46.39 80.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.994 0.426 . . . . 64.32 110.078 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -56.96 -40.17 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 55.2 110.7 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.5 t80 -55.24 -48.25 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 75.51 110.631 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.36 -44.32 88.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 53.15 110.602 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.841 ' HA ' ' HB3' ' A' ' 99' ' ' HIS . 4.2 m-20 -57.9 -42.55 84.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 51.3 111.24 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -71.65 -42.76 67.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.492 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.99 -39.91 83.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 74.15 111.028 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -81.56 4.73 71.99 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.058 -0.592 . . . . 61.34 113.079 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.0 mt -91.14 -8.53 48.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 73.11 110.393 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 p -135.85 5.57 3.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.012 -0.54 . . . . 70.13 111.644 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -138.98 156.25 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.655 0.264 . . . . 71.31 111.035 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -69.45 157.63 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.808 -0.633 . . . . 73.25 110.577 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' HG22 ' A' ' 68' ' ' ILE . 89.8 t80 -59.79 -38.51 82.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 61.13 111.013 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.47 -35.66 81.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.115 0.483 . . . . 72.23 110.27 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 m -70.73 -45.11 65.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.729 -0.669 . . . . 72.41 110.95 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 65' ' ' TYR . 7.1 tt -69.35 -34.89 64.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.842 0.353 . . . . 74.32 110.813 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.46 -44.64 90.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.037 0.446 . . . . 75.3 110.028 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.7 ttmt -61.75 -45.01 95.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.458 -0.792 . . . . 70.44 109.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.455 HD21 ' CE2' ' A' ' 55' ' ' PHE . 23.4 tp -53.87 -56.16 20.17 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.583 -0.735 . . . . 73.11 111.298 172.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.98 -44.73 60.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.029 -0.532 . . . . 71.15 111.335 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.1 m -59.48 -41.28 89.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 74.31 111.037 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 21.2 m-85 -62.89 -54.42 38.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 54.25 110.882 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.636 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 46.4 mt -63.78 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.85 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.51 -43.52 93.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.473 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -67.94 -33.97 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 63.12 111.222 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.41 71.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 64.05 111.027 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 23.0 m-85 -67.82 -37.53 82.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.439 -0.346 . . . . 70.44 110.943 177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.95 -38.25 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 65.45 110.557 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.53 -40.64 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.86 0.362 . . . . 73.12 110.29 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 72.34 111.274 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 90' ' ' LYS . 12.0 tt -73.12 -32.79 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.871 0.367 . . . . 71.24 110.568 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -63.9 -30.01 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.357 0.599 . . . . 70.21 110.131 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.7 -24.57 38.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 75.12 110.213 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.5 26.18 57.42 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.418 -1.073 . . . . 62.14 110.418 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -99.23 0.1 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.864 -0.668 . . . . 55.41 110.899 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG22 ' H ' ' A' ' 89' ' ' ILE . 5.6 p -156.12 -179.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.934 -0.395 . . . . 52.22 109.934 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.695 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.3 pt -71.96 -168.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.285 . . . . 61.15 111.051 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 83' ' ' ILE . 19.6 pttp -83.13 39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.011 0.434 . . . . 73.42 111.867 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 84.8 m-20 70.1 131.2 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 115.074 -0.966 . . . . 74.31 113.39 173.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 5.8 Cg_exo -79.81 -4.68 13.55 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.604 2.869 . . . . 71.04 110.943 170.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.471 HG23 ' HE2' ' A' ' 52' ' ' TYR . 1.9 m -79.13 34.65 0.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.391 -0.822 . . . . 63.1 110.531 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.44 -62.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.07 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -108.95 42.89 1.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.565 0.697 . . . . 74.31 110.62 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.44 97.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 60.55 110.973 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.11 149.28 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.093 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.9 mt -88.28 102.0 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 74.4 110.369 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.841 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . 72.2 t60 -101.99 96.42 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.674 . . . . 74.43 110.451 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -120.98 108.13 13.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.391 -178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -106.18 11.23 31.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.657 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 60' ' ' GLY . 48.6 t -83.92 98.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.013 -0.54 . . . . 65.54 111.251 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.06 127.47 38.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.573 -0.74 . . . . 50.52 109.068 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -78.56 -49.32 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.089 0.471 . . . . 72.13 109.858 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -107.46 134.86 49.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.167 -0.469 . . . . 65.32 110.446 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -120.03 -65.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 62.23 109.959 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -122.3 144.35 49.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.69 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -94.55 -47.39 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 74.12 110.938 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.1 p80 -153.18 -173.63 4.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 73.43 111.362 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 p80 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.467 -0.788 . . . . 71.41 109.335 176.684 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 45' ' ' LYS . 50.5 ttm . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.706 -0.479 . . . . 61.22 109.706 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -93.88 153.1 3.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 CA-C-O 121.754 0.788 . . . . 73.35 112.07 -175.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -73.05 145.92 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.845 -1.071 . . . . 75.15 110.54 174.045 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -65.49 -38.32 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.817 0.303 . . . . 63.14 111.817 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.35 -56.1 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 62.45 110.743 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.08 -39.84 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 74.43 110.67 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 71.9 t80 -60.68 -45.1 95.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.622 . . . . 71.41 111.193 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.29 -47.37 86.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 72.0 111.478 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' HE1' ' HG2' ' A' ' 29' ' ' GLU . 50.6 t80 -67.92 -42.36 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.521 -0.472 . . . . 71.42 110.949 -176.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 4.8 pp0? -69.47 -35.18 75.36 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.523 -0.471 . . . . 73.22 109.918 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.54 -43.07 84.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.282 0.563 . . . . 74.41 109.734 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 32.9 t80 -67.96 -56.48 8.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.365 -0.834 . . . . 70.1 110.611 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.72 ' HG2' HD22 ' A' ' 17' ' ' LEU . 2.6 tm-20 -56.89 -41.92 78.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.064 -0.516 . . . . 73.42 111.844 -174.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.94 -33.71 56.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 72.02 111.891 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -106.79 -65.68 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.457 -0.497 . . . . 70.44 111.71 -172.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -96.16 94.69 7.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.731 -0.47 . . . . 71.4 109.731 -177.73 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 13' ' ' GLU . 16.0 tp -150.0 -59.67 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.406 -0.517 . . . . 54.11 111.575 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 52.7 Cg_endo -70.29 -17.42 35.16 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.681 1.588 . . . . 75.13 112.169 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -91.85 -9.17 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 74.03 110.603 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.36 171.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.101 -0.499 . . . . 63.31 110.427 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -111.76 171.17 7.65 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.892 -0.41 . . . . 52.54 109.892 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 45.2 mt-10 -62.35 -23.24 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.26 0.467 . . . . 60.1 112.26 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t -60.09 -39.9 87.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 64.55 109.704 172.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 m -75.64 -38.42 58.89 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.087 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' HA ' ' A' ' 22' ' ' GLU . 25.2 mtpt -56.3 -36.82 69.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.266 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.5 tpt180 -56.29 -37.44 69.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.323 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.79 -47.02 56.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 74.24 110.722 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -64.36 -42.74 96.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 74.51 110.846 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.733 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.69 -40.48 84.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.565 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.4 t -51.39 -48.38 62.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.586 -0.524 . . . . 72.14 109.586 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -57.41 -51.43 69.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.48 -0.782 . . . . 74.01 110.34 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.66 -44.01 80.92 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.9 -0.591 . . . . 73.3 112.401 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 24.5 mmmt -61.42 -45.12 95.67 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.882 -0.414 . . . . 64.41 109.882 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -72.49 -32.08 65.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.855 -0.611 . . . . 65.14 110.627 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -64.32 -48.59 84.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 109.854 -0.424 . . . . 42.42 109.854 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 36' ' ' LYS . 23.1 ttpp -62.72 -28.38 69.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 73.05 110.736 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.09 -46.71 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 71.43 111.455 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -86.77 -27.01 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 72.04 111.169 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 59.4 m-85 -126.74 83.04 2.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 74.25 110.224 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -65.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.934 -0.765 . . . . 75.43 108.934 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.447 ' HA ' HG21 ' A' ' 3' ' ' THR . 28.7 m-70 -121.05 82.43 1.92 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.284 -0.871 . . . . 74.02 110.266 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.899 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 14.1 ttmm -139.27 107.72 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.414 -1.266 . . . . 51.23 108.494 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -56.44 151.73 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.498 -0.774 . . . . 74.31 110.353 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.631 ' HG ' HG11 ' A' ' 88' ' ' VAL . 2.7 pt? -71.21 -6.06 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.169 -0.612 . . . . 63.01 111.113 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 5.7 ptmm? -93.75 -8.62 40.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 75.02 110.243 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.93 -32.2 13.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.388 -0.597 . . . . 75.33 109.388 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.8 mt -70.78 134.96 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.045 -0.98 . . . . 72.44 110.24 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.882 ' HG2' ' HG2' ' A' ' 51' ' ' GLU . 13.8 ptpt -139.58 -174.47 3.9 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.469 -0.787 . . . . 73.53 109.02 -177.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 11.6 ptt180 -58.01 -37.09 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.953 0.353 . . . . 71.53 111.953 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 70.4 p -71.3 -36.61 71.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 60.53 110.7 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.882 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 15.0 mm-40 -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.378 0.608 . . . . 73.43 109.98 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 10.0 t80 -69.67 -39.29 77.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.167 -0.924 . . . . 65.21 110.204 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.56 -39.21 79.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.709 -0.678 . . . . 75.31 110.916 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 50' ' ' THR . 63.2 mttm -56.18 -51.87 66.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.305 0.574 . . . . 75.4 110.194 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 61.8 t80 -62.23 -44.55 96.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.929 -1.032 . . . . 63.54 111.014 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.83 -44.67 96.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.369 -0.378 . . . . 73.42 111.252 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.0 m-20 -60.63 -50.62 72.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 73.43 111.567 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.15 -30.4 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 72.3 111.368 -176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.92 -38.93 44.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 72.35 110.77 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 100' ' ' ALA . . . -70.03 -26.37 74.39 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.096 -0.502 . . . . 53.34 112.952 -177.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 89.8 mt -78.51 -7.76 57.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.607 -0.349 . . . . 70.52 111.324 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 p -124.15 4.2 8.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.915 0.339 . . . . 74.13 111.915 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -143.52 165.15 28.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.709 0.29 . . . . 74.15 111.168 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -71.28 159.61 34.29 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.251 -0.432 . . . . 73.22 110.939 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' H ' HD12 ' A' ' 103' ' ' LEU . 90.2 t80 -58.29 -41.38 84.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.994 -0.548 . . . . 74.33 111.522 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' HG3' HH21 ' A' ' 69' ' ' ARG . 39.9 tt0 -71.3 -31.42 67.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.099 -0.64 . . . . 62.43 110.554 -177.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 4.2 m -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.04 0.448 . . . . 71.12 110.328 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 13.4 tt -73.84 -33.18 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.492 . . . . 70.35 110.673 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 HH21 ' HG3' ' A' ' 66' ' ' GLU . 51.6 ttp85 -62.6 -45.81 91.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.735 0.303 . . . . 71.34 111.143 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -69.94 -33.89 72.73 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.963 -0.384 . . . . 74.03 109.963 179.39 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 55' ' ' PHE . 18.1 tp -56.37 -49.34 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 74.53 110.618 172.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.8 t30 -55.25 -40.63 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.453 -0.794 . . . . 63.14 110.921 178.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -64.71 -38.68 91.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 70.23 110.907 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -67.06 -48.99 66.58 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.84 0.352 . . . . 73.22 110.747 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' HE1' ' A' ' 52' ' ' TYR . 64.3 mt -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 70.25 111.084 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HA ' HG21 ' A' ' 93' ' ' THR . 93.7 mtt180 -63.88 -40.69 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.281 . . . . 75.24 110.711 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -40.61 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.331 . . . . 61.13 110.432 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.12 94.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 72.24 111.588 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -74.27 -31.47 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 74.24 111.363 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.07 -39.26 94.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.84 -0.43 . . . . 73.05 109.84 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 7.1 m-20 -62.93 -47.56 82.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.495 -0.32 . . . . 70.4 110.247 172.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -55.63 -49.23 73.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 51.42 111.449 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 13.4 tt -70.14 -32.46 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 65.4 110.772 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -72.68 -25.87 61.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.956 -0.565 . . . . 61.43 110.404 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 10.8 mm-40 -94.49 0.54 55.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 71.55 111.384 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.72 27.16 73.63 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.524 -0.846 . . . . 73.21 111.186 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.13 -52.93 7.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.955 -0.758 . . . . 73.32 108.955 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.631 HG11 ' HG ' ' A' ' 44' ' ' LEU . 31.0 m -140.84 163.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.158 -0.928 . . . . 75.43 108.85 173.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.7 tt -125.55 70.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.084 0.945 . . . . 74.45 110.527 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -147.75 147.87 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.275 -0.875 . . . . 64.25 111.035 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -122.52 85.91 48.58 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.742 -0.663 . . . . 64.43 109.889 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 71.7 Cg_endo -75.29 -1.81 11.76 Favored 'Trans proline' 0 CA--C 1.52 -0.191 0 C-N-CA 123.004 2.47 . . . . 72.3 111.78 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HA ' ' A' ' 76' ' ' ARG . 9.9 p -84.95 7.49 20.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.269 -0.878 . . . . 72.25 111.509 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.499 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 63.9 t80 -85.31 159.46 20.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.864 -0.791 . . . . 71.11 108.864 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HG2' ' HD2' ' A' ' 49' ' ' ARG . 32.6 mmmt 68.22 18.87 9.21 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.677 0.391 . . . . 75.3 110.138 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.82 131.2 50.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.515 -0.766 . . . . 71.14 111.232 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.31 106.35 4.74 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.656 -0.702 . . . . 75.25 109.665 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 69.3 mt -79.57 72.1 6.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.632 0.729 . . . . 61.52 109.354 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.62 61.63 3.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.821 -1.082 . . . . 73.52 110.521 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.11 88.85 7.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.79 -0.641 . . . . 72.25 110.758 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -80.17 67.42 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.566 0.698 . . . . 74.44 109.227 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.0 t -141.93 -36.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 114.871 -1.059 . . . . 74.44 109.827 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.498 HD12 ' H ' ' A' ' 65' ' ' TYR . 95.4 mt -125.12 39.41 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.41 112.049 -174.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -59.3 112.56 1.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.127 -0.694 . . . . 74.01 109.127 172.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -130.67 120.66 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.188 0.518 . . . . 62.53 111.869 -170.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -101.76 136.49 41.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.532 -0.758 . . . . 70.44 109.45 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.32 154.67 27.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.66 0.267 . . . . 72.34 110.934 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -135.03 133.37 39.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.116 -0.493 . . . . 52.44 110.604 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -128.75 125.1 37.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.42 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.724 -0.655 . . . . 73.53 109.672 174.536 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 C--O 1.242 0.673 0 CA-C-O 121.2 0.524 . . . . 63.41 111.399 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 49.5 p -77.38 161.34 28.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.797 -0.638 . . . . 71.12 110.833 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.61 -40.6 95.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 73.03 110.871 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.1 -56.55 19.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.036 0.446 . . . . 64.03 111.319 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.99 -34.24 77.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.518 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.05 -43.03 93.64 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.3 110.6 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.73 -45.87 81.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 73.45 110.457 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -67.76 -43.08 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 71.22 110.557 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.29 -51.01 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 73.44 110.491 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -52.92 -44.79 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.66 -0.7 . . . . 74.11 110.628 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.548 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 21.5 t80 -62.17 -57.95 9.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.72 -0.673 . . . . 60.32 111.032 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 tt0 -59.81 -34.75 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.686 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.41 -31.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 62.53 111.924 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -111.17 -58.05 2.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.452 0.538 . . . . 54.15 112.452 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 73.6 mmtt -86.83 -24.81 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.772 0.286 . . . . 71.11 111.772 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 19.8 tp -50.9 -53.79 43.92 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.917 0.71 . . . . 74.32 112.917 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.5 Cg_endo -64.81 -10.2 24.11 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.122 1.881 . . . . 71.11 113.656 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -104.35 -11.86 16.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.886 0.375 . . . . 61.13 110.941 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 24' ' ' THR . 33.8 m -116.64 -178.99 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.065 0.46 . . . . 61.21 111.579 -174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -120.59 177.89 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.997 -0.547 . . . . 64.31 110.278 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.61 -30.22 71.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.37 . . . . 72.03 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -60.56 -33.39 72.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.241 0.543 . . . . 71.25 109.75 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 20' ' ' VAL . 1.6 m -80.48 -33.82 36.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.436 -0.802 . . . . 73.03 110.246 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.85 -47.52 80.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.968 -0.56 . . . . 75.21 111.216 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -62.66 -29.34 70.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.527 -0.306 . . . . 71.2 111.187 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -65.84 -52.21 52.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.89 0.376 . . . . 74.13 110.166 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HE1' HG22 ' A' ' 24' ' ' THR . 46.3 m-85 -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.575 . . . . 74.23 111.245 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.6 -35.86 79.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.687 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -66.57 -40.04 88.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.195 0.521 . . . . 41.24 109.913 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -62.98 -46.4 87.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.705 -0.679 . . . . 74.41 109.89 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 18.2 t80 -56.03 -38.34 70.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.216 -0.902 . . . . 71.13 111.305 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 95.5 mttt -61.73 -43.17 99.37 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 120.791 0.329 . . . . 75.14 111.288 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -71.63 -34.08 69.5 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.227 -0.589 . . . . 74.1 110.32 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.19 -51.02 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.863 -0.608 . . . . 60.24 110.702 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 19.7 ptmt -65.88 -26.9 67.84 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 120.748 0.308 . . . . 65.3 110.895 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.87 -49.28 78.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 75.35 111.056 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -87.16 -49.27 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.248 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 44.5 m-85 -101.3 77.37 1.79 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.073 -0.512 . . . . 43.24 110.091 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 86.0 mtt180 -82.73 -67.29 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.625 -0.716 . . . . 74.43 111.0 -174.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -102.09 18.31 21.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.827 0.822 . . . . 52.3 109.091 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.668 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 51.8 tptt -80.43 114.35 19.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.455 -1.248 . . . . 71.11 110.137 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 92.6 mt -67.6 151.0 48.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.832 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.55 -35.1 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.821 -0.627 . . . . 64.1 111.952 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -92.66 8.86 37.31 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.405 0.52 . . . . 65.35 112.405 -171.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.23 -1.23 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.831 -0.348 . . . . 63.45 111.422 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.465 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 17.8 mm -64.89 119.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.705 0.288 . . . . 75.03 111.066 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.69 149.76 22.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.681 -0.488 . . . . 64.23 109.681 173.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -70.21 -23.16 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.289 . . . . 74.33 111.261 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 17.2 p -69.57 -44.66 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.514 -0.312 . . . . 63.13 111.105 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 16.0 pt-20 -74.88 -30.58 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 64.12 110.293 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.59 ' HE1' HG21 ' A' ' 75' ' ' ILE . 78.7 t80 -61.28 -39.89 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.289 0.566 . . . . 71.14 109.737 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -43.57 98.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.333 -0.849 . . . . 73.31 109.444 176.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 50' ' ' THR . 66.1 mmtt -65.99 -33.61 76.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.968 -0.56 . . . . 32.45 110.637 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.6 t80 -61.5 -44.69 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.608 -0.724 . . . . 51.22 110.536 176.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.31 -39.46 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 61.4 111.412 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.15 -42.57 91.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 71.13 110.858 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -71.51 -38.16 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.954 -0.567 . . . . 74.12 110.385 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.07 -35.07 77.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.27 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.44 -5.51 67.77 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.741 -0.663 . . . . 54.55 112.766 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 101' ' ' SER . 83.5 mt -90.28 -21.04 22.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.962 0.41 . . . . 64.2 110.573 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 p -110.63 -16.49 13.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 65.13 112.209 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.426 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.8 m80 -136.14 162.65 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.149 -0.344 . . . . 74.05 111.23 -174.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.8 m -78.56 174.86 10.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 73.35 111.302 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' HG22 ' A' ' 68' ' ' ILE . 67.3 t80 -61.32 -45.39 94.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.244 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 30.1 tt0 -60.12 -34.42 73.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.929 0.395 . . . . 75.12 110.347 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 1.5 m -72.13 -44.43 63.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.826 -0.625 . . . . 73.21 111.123 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.2 tt -73.57 -34.48 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 73.35 110.85 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -62.99 -48.81 77.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 62.14 110.88 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.7 ptpt -66.11 -35.77 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.731 -0.387 . . . . 75.34 110.261 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 ' HB1' ' A' ' 31' ' ' ALA . 24.2 tp -54.98 -48.92 72.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.392 . . . . 62.41 110.298 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.5 t30 -56.59 -47.26 79.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 74.34 111.012 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 p -64.05 -31.91 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.997 -0.281 . . . . 43.32 111.531 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -67.35 -49.97 61.85 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.629 -0.508 . . . . 74.4 109.629 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.59 HG21 ' HE1' ' A' ' 52' ' ' TYR . 73.9 mt -62.37 -43.64 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.604 -0.726 . . . . 74.42 110.67 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -57.53 -45.22 85.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.524 . . . . 73.44 110.847 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -70.72 -31.58 68.47 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.698 -0.228 . . . . 63.12 111.282 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.72 92.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.877 0.37 . . . . 62.23 110.48 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.465 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 62.7 m-85 -72.91 -35.0 66.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.868 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 83' ' ' ILE . 25.5 t70 -63.55 -39.65 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 72.23 110.541 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 16.0 t70 -68.54 -49.52 58.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 74.13 109.944 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.41 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.858 -0.61 . . . . 71.22 111.724 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -71.76 -32.12 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 60.43 109.84 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.74 -36.3 83.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.619 -0.719 . . . . 74.24 109.909 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.2 mm-40 -86.83 -7.68 58.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.452 -0.795 . . . . 73.3 110.567 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.82 29.04 36.17 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.839 -0.619 . . . . 54.41 112.154 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -103.07 -48.97 3.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.602 0.239 . . . . 73.4 111.284 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 45' ' ' LYS . 3.7 p -99.99 155.62 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.683 -0.407 . . . . 54.34 110.113 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 tt -131.1 -27.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.329 -0.396 . . . . 63.33 111.151 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -101.83 114.82 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.721 0.296 . . . . 74.33 110.938 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -105.38 107.65 59.6 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.202 -0.666 . . . . 73.34 109.202 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.18 13.68 2.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.002 2.468 . . . . 75.43 113.238 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -75.45 2.35 11.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.482 0.549 . . . . 73.23 112.482 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.01 -41.36 91.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.077 0.465 . . . . 72.44 110.525 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 mmtp -106.97 41.97 1.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 44.23 110.774 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.89 63.66 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.819 -0.628 . . . . 71.23 110.615 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.959 ' HB3' ' HD2' ' A' ' 99' ' ' HIS . 34.8 mt-10 -75.57 112.31 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.566 -0.743 . . . . 71.23 111.242 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.3 mt -80.89 65.62 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.847 -0.615 . . . . 71.12 110.744 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.959 ' HD2' ' HB3' ' A' ' 97' ' ' GLU . 42.4 m-70 -93.67 85.9 5.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 74.4 111.29 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.44 92.2 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.602 -0.888 . . . . 31.41 108.602 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.578 ' HB2' HD23 ' A' ' 61' ' ' LEU . 19.9 m . . . . . 0 C--N 1.322 -0.619 0 CA-C-N 115.795 -0.639 . . . . 62.45 111.23 -171.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 N--CA 1.447 -0.591 0 CA-C-O 121.552 0.691 . . . . 75.03 111.37 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.15 153.44 26.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.107 -0.951 . . . . 62.33 110.57 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 28.7 t80 -59.33 -42.14 90.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.747 -0.206 . . . . 73.22 111.44 -176.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 75.44 110.706 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.06 -37.5 87.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.669 -0.696 . . . . 70.14 110.98 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -67.14 -46.23 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 74.12 110.921 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.08 -48.35 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.327 0.392 . . . . 70.31 110.742 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.5 -42.92 82.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 73.14 110.544 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.0 tt0 -63.45 -47.78 80.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 63.45 110.109 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.4 t90 -55.61 -46.61 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.669 -0.696 . . . . 74.21 110.158 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.48 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 16.8 t80 -60.33 -48.51 81.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 73.44 111.36 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.832 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.0 tt0 -66.6 -24.56 66.35 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.855 0.36 . . . . 63.13 111.527 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLN . 59.0 t -89.25 -26.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.109 0.481 . . . . 75.33 110.764 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.939 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -101.73 -55.22 2.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.744 0.646 . . . . 44.34 112.744 -167.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 3.2 mptp? -109.73 -12.59 14.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.751 0.648 . . . . 73.51 112.751 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.832 HD22 ' HG3' ' A' ' 13' ' ' GLU . 28.0 tp -46.88 -57.04 9.88 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 113.113 0.783 . . . . 52.3 113.113 -171.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 96.7 Cg_endo -79.05 -0.94 11.18 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 121.621 1.547 . . . . 55.34 113.187 -176.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -108.51 -27.78 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.767 0.284 . . . . 61.23 111.767 -174.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.767 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.3 m -96.88 142.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.402 0.62 . . . . 74.45 111.482 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.7 m -80.95 173.97 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.43 -0.804 . . . . 54.41 110.258 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.8 pm0 -56.45 -36.71 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 73.44 111.166 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -56.04 -41.95 75.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.141 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.767 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -79.53 -30.68 41.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 72.03 110.621 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 21' ' ' SER . 7.9 mtpm? -60.65 -38.81 86.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.309 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 8.5 mmt-85 -58.83 -38.14 77.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 70.14 110.7 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -60.53 -54.81 40.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 75.4 110.931 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -64.33 -43.23 95.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 73.55 112.023 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.597 0.237 . . . . 63.31 111.603 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.4 m -74.45 -37.65 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 72.2 109.986 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.51 -44.52 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 65.1 110.085 175.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -57.3 -45.92 83.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.46 -0.791 . . . . 75.33 111.943 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -67.05 -34.28 77.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.622 -0.431 . . . . 62.25 111.159 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -70.33 -33.5 71.57 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.909 0.385 . . . . 54.04 110.722 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.3 mt -67.0 -46.74 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 72.12 110.511 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.47 -36.65 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 64.52 110.498 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.43 -50.46 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.906 . . . . 70.24 111.682 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.31 -56.48 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.44 0.533 . . . . 73.25 112.44 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 77.4 m-85 -84.73 59.51 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.337 0.589 . . . . 70.51 111.299 -173.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -65.49 114.8 5.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.558 -0.746 . . . . 72.43 110.221 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.4 m170 65.08 21.44 12.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.034 -0.53 . . . . 73.3 111.12 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 9.6 tptp -80.2 118.82 22.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.035 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -71.4 149.81 45.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.876 -0.602 . . . . 73.01 110.005 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.06 -30.74 71.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.153 0.501 . . . . 73.34 111.047 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -91.72 4.91 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.932 -0.576 . . . . 74.51 111.193 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.34 76.36 1.72 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.539 -0.3 . . . . 54.52 110.442 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 37.1 mt -142.14 128.23 18.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.173 0.511 . . . . 63.33 110.039 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.717 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 88.5 mttt -89.53 154.33 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.508 -0.769 . . . . 62.25 110.449 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.56 HH21 ' HG2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -57.69 -37.98 74.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.625 -0.716 . . . . 72.5 111.127 176.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -28.93 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.31 . . . . 73.44 111.418 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 48.4 mt-10 -72.24 -35.74 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 74.22 109.614 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 31.5 t80 -72.05 -41.14 67.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.678 . . . . 75.12 109.776 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 95' ' ' LYS . 25.9 tm0? -56.05 -46.58 78.86 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.682 -0.69 . . . . 74.35 109.373 173.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -56.16 -53.43 57.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.272 -0.876 . . . . 65.44 110.502 176.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE2' HD21 ' A' ' 71' ' ' LEU . 83.5 t80 -54.1 -47.19 72.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.528 -0.76 . . . . 63.5 111.455 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 96' ' ' ALA . 76.5 mt -64.91 -39.19 93.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.422 -0.354 . . . . 74.53 111.379 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -61.9 -46.98 87.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.102 -0.239 . . . . 71.3 110.947 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 6.2 mm-40 -64.29 -37.36 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.331 0.586 . . . . 65.44 109.968 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.94 -41.39 78.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.654 -0.703 . . . . 75.01 110.902 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.77 75.38 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.019 -0.537 . . . . 75.33 112.795 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -82.56 -12.82 57.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.781 0.324 . . . . 73.51 110.923 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -141.41 18.22 2.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.074 0.464 . . . . 74.52 111.107 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -144.79 158.65 43.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 75.1 111.226 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -77.23 162.1 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.771 -0.65 . . . . 70.44 111.008 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -60.02 -42.3 94.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 71.53 111.696 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.5 -31.12 71.03 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.328 -0.549 . . . . 71.52 111.405 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -68.29 -44.03 76.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.875 0.369 . . . . 72.3 110.201 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -72.33 -33.36 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.281 -0.418 . . . . 55.11 110.203 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -57.33 -46.22 83.49 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.41 -0.359 . . . . 71.22 110.345 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -39.95 81.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.122 -0.49 . . . . 64.52 110.814 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.594 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.2 tp -53.23 -51.26 62.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.248 -0.433 . . . . 64.11 110.52 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 26.1 t30 -51.85 -53.51 39.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 74.13 111.438 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -59.03 -32.24 69.55 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.398 0.518 . . . . 62.33 112.398 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -69.63 -54.32 14.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.032 0.444 . . . . 74.15 110.093 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.524 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.2 mt -63.72 -41.51 92.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.649 -0.705 . . . . 73.43 110.797 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -59.77 -43.87 94.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.974 -0.557 . . . . 70.41 110.425 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 77' ' ' ASN . 2.0 t-20 -66.0 -35.3 80.19 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.713 0.292 . . . . 73.55 110.534 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.98 72.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.076 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -69.13 -34.07 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 71.21 110.933 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 83' ' ' ILE . 12.9 t70 -65.42 -39.11 91.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 60.42 110.374 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.4 t70 -64.02 -47.81 78.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.029 0.442 . . . . 73.14 109.859 174.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.71 -45.75 81.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.623 -0.717 . . . . 70.35 111.686 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 80' ' ' ASP . 9.4 tt -70.76 -33.06 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.919 -0.312 . . . . 71.43 111.147 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -64.97 -27.58 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.389 . . . . 74.11 110.366 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 55.9 mm-40 -90.88 -6.43 54.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 71.43 110.796 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.67 26.77 70.69 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.422 -0.671 . . . . 73.22 111.422 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -84.6 -32.97 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.157 -0.522 . . . . 74.13 110.268 -175.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.84 164.97 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.216 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.3 pt -101.5 -32.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.838 0.681 . . . . 74.41 112.838 -173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -137.13 173.32 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.983 0.42 . . . . 65.44 111.768 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -112.7 113.84 50.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 74.04 111.115 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 47' ' ' ILE . 96.6 Cg_endo -82.86 8.35 4.65 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.598 2.199 . . . . 73.32 111.016 172.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -79.28 -0.01 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.443 -0.799 . . . . 70.42 111.911 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 36.3 t80 -86.35 155.96 20.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.683 -0.858 . . . . 71.4 108.683 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . 28.4 mmtt 71.46 21.25 4.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 123.639 0.587 . . . . 71.2 109.521 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 56' ' ' LEU . . . -78.07 47.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.436 -0.802 . . . . 55.24 110.12 176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.02 106.81 3.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.435 -0.802 . . . . 72.14 109.836 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.434 HD22 HG12 ' A' ' 68' ' ' ILE . 59.0 mt -75.45 82.39 2.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.584 -0.734 . . . . 61.54 110.225 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -103.13 102.05 12.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.36 -0.837 . . . . 74.32 110.143 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.33 107.91 19.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.874 -0.603 . . . . 54.22 109.844 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.163 0.506 . . . . 72.13 110.342 178.535 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.4 tt . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.808 -0.441 . . . . 63.43 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -70.65 146.61 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 74.54 109.869 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 22.5 t80 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.526 0.203 . . . . 73.54 111.235 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.24 74.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.342 . . . . 65.34 111.292 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.456 ' OD2' HD11 ' A' ' 2' ' ' ILE . 29.6 t70 -71.98 -36.18 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.416 -0.356 . . . . 70.43 110.441 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HB2' HG23 ' A' ' 2' ' ' ILE . 81.9 t80 -64.41 -44.2 92.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.781 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.94 -46.28 89.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.725 0.298 . . . . 74.44 110.519 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.25 -46.29 77.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 63.53 110.355 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.2 tt0 -59.58 -46.33 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 70.11 110.383 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 55.5 t90 -56.46 -51.65 67.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 71.21 110.445 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 15.2 t80 -59.37 -43.76 92.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 71.31 111.212 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.718 ' HG3' HD22 ' A' ' 17' ' ' LEU . 39.4 tt0 -59.58 -36.84 77.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.365 -0.379 . . . . 73.1 111.5 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLN . 18.2 t -90.18 -22.05 6.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.026 0.441 . . . . 42.31 111.072 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -102.3 -47.17 4.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.576 0.584 . . . . 72.14 112.576 -166.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 73.4 mmtt -120.64 -18.95 7.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.178 0.436 . . . . 74.22 112.178 -171.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' HG3' ' A' ' 13' ' ' GLU . 24.4 tp -51.5 -54.93 33.8 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.782 0.66 . . . . 72.22 112.782 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 79.9 Cg_endo -83.87 21.18 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.898 1.732 . . . . 74.02 112.995 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.93 -56.66 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.837 0.31 . . . . 63.33 111.837 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.1 m -71.09 149.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.283 0.563 . . . . 74.51 112.091 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.1 m -67.55 165.95 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.47 -0.786 . . . . 64.42 110.787 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.47 -32.67 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.14 110.436 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -60.16 -32.46 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 62.44 110.523 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.756 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 62.9 m -87.1 -31.78 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 61.02 110.758 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -56.7 -39.01 73.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 74.42 111.019 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -70.29 -27.86 64.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 73.5 111.38 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.756 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 79.4 m-70 -60.14 -51.13 70.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.849 -0.426 . . . . 71.55 109.849 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -63.91 -42.83 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.672 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -55.03 -49.95 70.28 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.068 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 m -66.75 -38.34 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.857 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.71 92.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 21.53 110.502 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.96 -35.21 74.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.53 -0.759 . . . . 74.4 111.096 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 59.5 mttm -60.46 -46.07 91.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.14 0.495 . . . . 74.14 110.305 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB3' ' HE1' ' A' ' 55' ' ' PHE . 85.4 m-70 -73.12 -34.23 66.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.639 -0.71 . . . . 74.12 111.166 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.86 -44.69 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.898 0.38 . . . . 60.02 110.187 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -63.5 -26.78 68.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 70.34 110.786 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.37 -51.73 27.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 71.4 111.268 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.38 -35.99 18.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.018 0.747 . . . . 74.23 113.018 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 82.7 m-85 -119.93 84.71 2.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.626 0.727 . . . . 63.34 111.937 -173.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -98.14 114.86 27.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.046 -0.979 . . . . 73.24 110.575 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 63.4 m170 68.9 5.19 4.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.045 0.538 . . . . 62.02 112.07 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 34.7 tttp -81.34 125.65 30.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.786 0.327 . . . . 70.01 110.967 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.55 148.9 40.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.949 -0.568 . . . . 75.32 110.567 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 2.6 pt? -67.13 -28.92 68.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.879 0.371 . . . . 64.02 111.057 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -81.06 -15.88 54.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 73.31 110.097 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -95.39 -3.96 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.422 -0.808 . . . . 74.12 110.027 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.09 118.91 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 63.53 110.811 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.9 mtpm? -66.66 120.99 14.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.998 -0.741 . . . . 71.31 108.998 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -67.86 -27.18 66.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.113 0.482 . . . . 72.33 110.286 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -33.34 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 71.21 110.44 172.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' ' 48' ' ' LYS . 10.0 tp10 -70.97 -38.45 72.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.208 -0.664 . . . . 75.22 109.208 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -64.13 -43.32 95.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.534 -0.757 . . . . 75.11 110.011 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 73.52 109.821 174.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.25 -42.53 86.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.213 -0.448 . . . . 51.32 111.089 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 71.2 t80 -56.32 -46.62 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.63 -0.714 . . . . 72.31 110.849 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -42.42 94.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.53 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 94.7 m-20 -60.58 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.686 -0.234 . . . . 71.34 111.14 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -62.26 -36.0 80.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.437 . . . . 75.03 110.325 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -68.87 -42.51 76.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.383 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.2 -11.02 79.25 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 116.101 -0.499 . . . . 74.44 112.995 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -87.9 -14.18 40.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 55.21 110.657 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 p -128.58 9.15 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.225 0.454 . . . . 65.12 112.225 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -147.28 175.18 10.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 74.25 110.482 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.4 t -88.23 169.77 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.44 -0.345 . . . . 74.31 110.606 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.8 t80 -64.32 -42.24 96.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 72.4 111.103 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 3.9 mm-40 -61.22 -35.74 78.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 75.42 110.869 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -68.89 -45.5 70.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.045 -0.525 . . . . 72.33 110.73 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.581 HG12 HD22 ' A' ' 98' ' ' LEU . 11.2 tt -73.32 -34.69 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.44 -0.345 . . . . 63.41 111.04 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -68.65 -41.14 79.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.096 -0.335 . . . . 71.13 110.096 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 13.5 mptt -55.46 -50.58 69.47 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.611 -0.514 . . . . 62.53 109.611 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 42.8 tp -53.79 -56.86 13.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.391 -0.822 . . . . 73.32 111.705 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.5 t30 -56.51 -39.53 73.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.792 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -37.71 85.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 75.31 110.995 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -70.47 -50.33 39.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 71.42 110.375 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 73.9 mt -63.79 -42.96 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.008 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.579 ' HA ' HG21 ' A' ' 93' ' ' THR . 40.9 ttt-85 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 74.34 110.291 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.555 HD22 ' HZ2' ' A' ' 11' ' ' TRP . 3.2 t30 -66.16 -33.93 76.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 62.14 110.615 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -46.55 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.065 0.459 . . . . 52.1 110.475 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 54.2 m-85 -74.82 -33.75 62.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 72.03 111.474 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 32.0 t70 -66.42 -34.4 77.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.313 -0.403 . . . . 72.32 110.381 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 9.7 t70 -73.42 -38.25 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.267 0.556 . . . . 74.33 109.833 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.69 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 62.42 110.771 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.84 -30.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.166 0.508 . . . . 70.42 110.241 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.7 t-80 -57.84 -25.19 60.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.369 -0.832 . . . . 54.52 111.105 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -118.14 -4.22 11.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.795 0.331 . . . . 41.12 111.365 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.5 21.45 47.97 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.75 -0.738 . . . . 65.3 112.137 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.98 -24.23 59.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 64.34 110.086 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.58 143.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.783 . . . . 73.31 108.887 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.52 -31.59 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.754 0.312 . . . . 73.4 111.542 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -138.77 135.1 34.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.655 0.264 . . . . 61.41 110.482 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 m-20 -89.45 127.16 55.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 72.45 110.902 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 7.3 Cg_exo -74.83 8.26 2.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.244 2.629 . . . . 75.33 112.633 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 76' ' ' ARG . 7.1 p -81.85 5.92 17.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 41.42 110.686 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -76.24 141.1 41.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 74.41 110.457 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 tptp 72.83 4.04 4.86 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.328 0.651 . . . . 64.13 111.393 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -74.94 145.34 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 61.24 111.197 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -138.7 155.81 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 63.22 110.21 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HG12 ' A' ' 68' ' ' ILE . 85.7 mt -114.88 96.48 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.581 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -121.5 94.88 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 65.14 111.024 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.76 87.36 5.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.26 -0.645 . . . . 72.42 109.26 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 70.32 111.598 -172.864 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.607 ' N ' ' HH ' ' A' ' 87' ' ' TYR . 14.7 tt . . . . . 0 C--O 1.236 0.351 0 CA-C-O 120.504 0.192 . . . . 75.44 110.856 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 23.0 p -76.56 149.59 36.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.063 -0.347 . . . . 73.42 110.063 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 24.9 t80 -66.46 -38.85 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.691 -0.232 . . . . 74.54 111.255 -175.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 63.52 111.062 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.48 ' OD2' HD11 ' A' ' 2' ' ' ILE . 38.2 t70 -68.95 -40.23 79.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 55.13 110.622 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -59.92 -46.31 89.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.956 -0.565 . . . . 73.2 110.511 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.59 -44.58 96.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.506 . . . . 74.01 110.975 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.91 -45.3 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 71.15 111.002 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.03 -46.23 85.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.206 0.527 . . . . 73.41 110.035 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -55.19 -47.67 74.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.683 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 5.4 t80 -65.38 -50.34 65.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 64.35 111.905 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.77 -24.75 67.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.336 0.495 . . . . 73.15 112.336 -171.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.72 -23.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.819 0.303 . . . . 64.51 111.819 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -111.81 -31.37 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.468 0.914 . . . . 41.23 113.468 -169.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.1 mptp? -113.39 -16.77 12.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.452 -0.499 . . . . 72.24 112.308 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.3 tp -50.49 -59.02 8.06 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.059 0.762 . . . . 75.51 113.059 -171.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 87.5 Cg_endo -86.05 15.82 2.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.143 1.895 . . . . 31.21 113.367 -174.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -123.41 -51.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.791 -0.364 . . . . 73.42 111.805 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.65 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 25.3 m -79.53 151.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 74.33 111.682 -173.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 36.9 m -73.54 171.3 13.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 45.22 110.68 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -65.29 -25.38 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 71.34 111.398 -178.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 p -62.66 -42.64 99.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 44.14 110.0 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.65 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.4 m -73.32 -31.7 64.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.768 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 28.7 mmtm -56.58 -45.21 81.48 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 109.139 -0.689 . . . . 63.22 109.139 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -57.25 -43.68 83.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.177 -0.92 . . . . 74.34 110.911 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -57.85 -53.31 59.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.351 -0.386 . . . . 74.3 111.124 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -64.26 -41.12 97.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.708 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.44 -42.68 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.902 -0.319 . . . . 55.14 110.81 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 64.23 110.497 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.72 67.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.954 0.407 . . . . 42.43 110.499 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.57 -43.19 84.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 72.53 112.018 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -71.03 -32.5 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.849 -0.34 . . . . 50.2 111.673 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -74.86 -36.12 62.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.893 -0.323 . . . . 60.32 110.683 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.496 HG23 ' HD2' ' A' ' 39' ' ' PHE . 77.6 mt -62.43 -50.9 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 62.51 110.144 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -63.75 -27.78 69.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 72.41 110.632 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.755 -0.657 . . . . 75.54 111.174 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -86.79 -54.94 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.025 0.44 . . . . 75.34 111.514 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' HD2' HG23 ' A' ' 35' ' ' ILE . 45.9 m-85 -88.67 63.84 7.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.555 0.693 . . . . 75.44 111.106 -171.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -69.18 111.8 5.36 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.03 -0.986 . . . . 74.12 110.394 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.3 m170 64.85 25.16 12.83 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.93 -0.577 . . . . 74.14 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 132.25 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.856 0.36 . . . . 60.45 110.616 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 15.5 mt -74.91 156.19 36.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.387 -0.597 . . . . 60.4 109.387 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.7 pt? -64.59 -32.78 74.58 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.09 -0.244 . . . . 73.35 111.64 -176.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 88' ' ' VAL . 15.5 ptmt -93.27 -1.85 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 72.21 110.596 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 36.3 t70 -92.41 -6.54 49.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.63 0.728 . . . . 61.25 109.391 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -67.59 98.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.003 -0.999 . . . . 73.4 109.575 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 51' ' ' GLU . 48.1 tttp -59.72 138.58 57.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.236 -0.653 . . . . 64.34 109.236 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.827 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -60.28 -42.72 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 73.34 110.653 -176.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -70.69 -27.87 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.915 -0.584 . . . . 65.41 110.934 178.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 10.4 tp10 -70.61 -38.12 73.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 70.55 109.759 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE1' HD13 ' A' ' 75' ' ' ILE . 58.4 t80 -65.18 -37.3 86.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.53 -0.759 . . . . 74.23 109.912 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 50' ' ' THR . 5.1 tp-100 -54.75 -57.23 12.35 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.651 -0.704 . . . . 62.24 110.02 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -51.4 -39.8 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.697 -0.683 . . . . 75.54 111.639 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 64.3 t80 -60.96 -51.49 69.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.386 -0.37 . . . . 65.31 110.634 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 68' ' ' ILE . 93.4 mt -65.99 -38.13 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.374 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.8 t-20 -53.97 -53.46 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.649 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.92 -40.35 91.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.06 -0.518 . . . . 71.14 110.881 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.35 -39.01 88.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.513 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.21 -15.6 81.32 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 116.128 -0.487 . . . . 55.15 112.687 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 79.0 mt -84.6 -13.26 52.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.697 0.284 . . . . 75.23 110.553 176.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 p -121.41 -0.47 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.106 0.41 . . . . 74.04 112.106 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -143.09 168.69 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.567 0.222 . . . . 61.15 110.616 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -82.29 172.81 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.361 -0.381 . . . . 65.32 111.19 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 65.2 t80 -61.27 -47.5 85.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 74.23 111.724 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 69' ' ' ARG . 9.7 mm-40 -60.05 -33.88 72.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.737 0.273 . . . . 75.12 111.737 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -48.36 69.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 73.13 110.677 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' LEU . 11.7 tt -72.61 -34.05 46.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.242 -0.436 . . . . 65.32 110.384 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 71.4 ttt180 -60.99 -50.36 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 75.34 110.357 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.26 -47.66 82.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 73.52 110.725 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 32.9 tp -53.17 -54.7 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 62.52 111.105 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 26.5 t-20 -62.64 -33.49 75.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 74.01 111.197 -178.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -61.21 -47.92 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.439 -0.346 . . . . 73.24 111.032 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.76 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.97 0.415 . . . . 73.33 110.097 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.43 HD13 ' HE1' ' A' ' 52' ' ' TYR . 83.4 mt -62.94 -42.07 95.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.477 -0.783 . . . . 63.33 111.017 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 64.3 mtt180 -59.45 -48.52 81.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.849 0.357 . . . . 71.14 110.438 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.68 -36.1 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.858 -0.61 . . . . 54.11 110.924 -175.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.85 97.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.429 . . . . 74.13 110.507 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.04 -30.37 62.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 64.54 111.217 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 83' ' ' ILE . 38.3 m-20 -56.39 -44.32 80.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 62.41 110.403 174.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -68.89 -35.21 76.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.423 -0.353 . . . . 72.15 110.742 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -68.45 -44.18 75.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 74.34 111.243 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 80' ' ' ASP . 13.6 tt -67.81 -28.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 70.31 111.231 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -54.88 -32.04 60.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.728 0.299 . . . . 73.12 110.374 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.62 -32.54 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.403 0.621 . . . . 73.24 109.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.08 25.83 5.72 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.48 -0.782 . . . . 74.32 111.714 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.607 ' HH ' ' N ' ' A' ' 2' ' ' ILE . 0.4 OUTLIER -59.81 -55.37 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.299 0.571 . . . . 73.41 109.77 179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' HB3' ' A' ' 45' ' ' LYS . 39.4 t -120.5 122.77 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.757 -0.656 . . . . 65.14 109.296 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.1 tt -78.6 -32.54 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.447 . . . . 75.11 111.371 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -125.16 102.57 7.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.858 -0.423 . . . . 71.02 109.858 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.92 143.63 87.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 73.43 110.946 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 36.9 Cg_exo -62.3 -9.45 15.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.299 2.666 . . . . 75.15 113.033 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 p -75.74 77.84 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.24 0.543 . . . . 74.43 110.686 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.827 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 55.1 t80 -87.48 -78.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 73.35 109.678 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -112.8 84.7 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.634 0.731 . . . . 71.42 109.602 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.42 94.26 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.114 -0.948 . . . . 55.42 110.148 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -100.01 108.91 21.22 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.46 -0.791 . . . . 73.25 110.46 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.51 43.3 0.96 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.587 -0.733 . . . . 63.02 109.951 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -85.2 81.95 8.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.021 -0.991 . . . . 75.33 110.541 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 107.86 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.605 . . . . 73.13 110.591 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 70.03 111.95 -177.361 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.12 -0.326 . . . . 75.23 110.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.1 p -77.36 152.86 34.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.308 -0.256 . . . . 63.01 110.308 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 17.5 t80 -63.83 -44.14 94.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.346 -0.388 . . . . 73.14 110.812 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.43 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 61.41 111.288 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.48 -39.29 77.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 71.22 110.914 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.8 -42.29 99.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 72.04 110.785 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.24 -44.74 88.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 64.5 110.394 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.04 -42.88 72.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.695 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.03 0.443 . . . . 72.21 110.114 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.587 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 73.0 t90 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.863 . . . . 72.23 110.571 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.581 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 34.0 t80 -60.44 -50.76 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.479 -0.328 . . . . 73.34 111.213 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.78 -34.67 54.35 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.95 0.781 . . . . 74.35 111.802 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.3 t -92.27 -33.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 42.11 111.786 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -98.7 -54.35 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.164 0.802 . . . . 72.43 113.164 -163.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.9 mmtt -104.79 -11.59 16.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.088 0.403 . . . . 73.2 112.088 -168.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.645 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 13.0 tp -49.61 -56.61 15.73 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 112.723 0.638 . . . . 74.45 112.723 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 98.9 Cg_endo -82.95 12.81 2.82 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.982 1.788 . . . . 75.32 113.63 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -120.46 -23.62 6.07 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.624 -0.431 . . . . 74.12 111.727 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 26.1 m -98.8 158.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.394 . . . . 75.33 111.46 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 p -86.05 173.4 9.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 73.54 110.629 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.671 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -62.76 -36.61 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 63.43 111.358 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -61.8 -36.81 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.055 0.455 . . . . 71.33 110.113 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.649 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -71.35 -34.56 70.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 61.02 110.05 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 3.6 mmmm -55.33 -46.76 76.33 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.432 -0.581 . . . . 62.14 109.432 173.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 26' ' ' ARG . 15.5 mmm-85 -58.42 -41.8 85.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.593 -0.73 . . . . 72.42 111.335 178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -62.15 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 73.3 111.119 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.46 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 37.0 m-85 -65.18 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.552 -0.294 . . . . 72.31 111.006 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 46.8 mt-10 -56.42 -54.27 47.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.783 -0.451 . . . . 61.21 109.783 172.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.1 t -54.79 -48.2 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.412 -0.813 . . . . 51.12 110.287 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -56.02 26.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 43.15 111.001 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -57.19 -44.81 83.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 63.22 111.826 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 51.4 mtpt -69.28 -37.4 77.83 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.648 0.261 . . . . 74.32 111.407 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -74.04 -34.83 64.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 119.961 -0.696 . . . . 72.01 110.352 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.61 -51.06 76.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.014 -0.539 . . . . 74.01 110.784 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 14.2 ptmm? -64.53 -26.24 68.34 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.597 0.237 . . . . 64.24 110.945 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.3 -49.94 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 72.23 111.324 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -76.63 -33.49 58.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 72.13 110.89 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 60.0 m-85 -121.31 92.41 3.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.382 -0.599 . . . . 74.32 109.382 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 26.2 mmt180 -72.8 -54.08 9.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.671 -0.695 . . . . 64.03 111.748 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -130.07 23.41 5.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.377 0.608 . . . . 61.25 110.221 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' PHE . 5.4 tptp -66.32 129.29 39.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.211 -0.904 . . . . 72.21 109.675 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 86.5 mt -70.87 159.09 35.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.748 0.308 . . . . 65.4 110.557 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 4' ' ' PHE . 3.1 tm? -58.45 -35.7 72.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.853 -0.612 . . . . 55.11 110.38 -177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 7.43 46.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 75.44 111.379 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 26.0 t70 -100.27 -0.61 38.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.873 0.368 . . . . 60.13 110.744 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 26.2 mm -75.01 115.2 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 72.01 109.791 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 93.4 mttt -86.65 173.38 9.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.854 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.818 ' HG3' ' HB3' ' A' ' 94' ' ' TYR . 0.6 OUTLIER -69.16 -49.19 58.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.631 . . . . 73.13 110.944 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 p -71.0 -32.28 69.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.075 -0.511 . . . . 63.44 111.738 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 75.2 mt-10 -63.72 -47.33 81.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.573 -0.529 . . . . 75.14 109.573 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.717 ' HE1' HG21 ' A' ' 75' ' ' ILE . 46.3 t80 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.028 -0.987 . . . . 73.32 110.226 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 74.52 110.709 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -39.52 94.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.406 -0.361 . . . . 73.41 110.53 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.9 t80 -59.13 -46.96 86.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 73.42 110.604 177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.25 -43.73 93.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.715 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-20 -59.74 -46.06 90.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 61.21 111.322 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.73 -24.05 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 74.45 111.109 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -77.28 -39.13 49.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.915 0.388 . . . . 73.44 110.16 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.75 3.33 64.61 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.807 -0.633 . . . . 74.14 112.897 -178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 101' ' ' SER . 94.6 mt -86.17 -17.8 33.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 42.23 110.421 176.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -129.17 7.25 5.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.359 . . . . 54.44 111.695 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.23 151.77 49.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.523 -0.308 . . . . 74.21 111.148 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -73.46 168.27 19.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.009 -0.541 . . . . 41.34 110.872 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 67.6 t80 -63.74 -44.41 93.61 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.347 0.499 . . . . 74.41 112.347 -172.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.345 -0.542 . . . . 75.22 111.142 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 m -66.12 -43.07 88.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.55 -0.296 . . . . 73.03 111.044 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG12 HD22 ' A' ' 98' ' ' LEU . 12.7 tt -69.78 -32.89 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 110.05 -0.352 . . . . 42.34 110.05 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 13.5 mtp180 -57.26 -48.96 77.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.457 -0.338 . . . . 73.24 110.844 174.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -55.01 -48.37 73.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.328 -0.397 . . . . 74.52 110.397 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 55' ' ' PHE . 34.6 tp -52.74 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 70.14 111.45 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.4 t30 -57.65 -38.85 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 44.11 110.888 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -60.89 -41.64 96.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.697 -0.683 . . . . 75.43 111.317 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.72 -48.82 65.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 70.52 110.614 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.717 HG21 ' HE1' ' A' ' 52' ' ' TYR . 61.5 mt -63.47 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.705 -0.68 . . . . 73.31 111.037 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.22 -36.01 80.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.807 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.49 -37.99 68.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 75.32 110.553 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.5 85.91 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.35 0.595 . . . . 64.4 110.545 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.61 -31.09 72.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.932 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HA ' HG22 ' A' ' 83' ' ' ILE . 17.8 t70 -62.21 -46.01 90.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 63.24 110.847 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -40.68 88.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.103 0.478 . . . . 73.43 110.346 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.17 -51.23 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 54.4 111.777 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.1 tt -66.44 -32.42 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 75.14 111.582 -174.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -65.79 -14.17 60.87 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.713 0.264 . . . . 65.03 111.713 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -112.5 -33.78 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 74.03 110.569 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.2 6.38 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.182 -0.767 . . . . 64.12 111.182 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 38.9 t80 -71.1 -30.47 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.246 -0.477 . . . . 71.35 110.439 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.05 156.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.767 -0.651 . . . . 53.45 110.413 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.0 mm -79.33 -61.73 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.106 0.479 . . . . 71.4 110.718 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -146.09 134.75 22.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 65.42 110.299 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.02 141.77 71.65 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 71.52 111.003 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.717 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 83.5 Cg_endo -86.56 4.37 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.912 2.408 . . . . 74.15 112.388 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 p -75.82 8.67 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.008 -0.542 . . . . 73.41 112.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.818 ' HB3' ' HG3' ' A' ' 49' ' ' ARG . 91.6 t80 -61.54 -55.96 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.05 0.452 . . . . 75.32 109.821 175.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.86 77.1 4.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.273 0.558 . . . . 61.23 109.963 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.21 33.55 3.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.287 -0.87 . . . . 34.14 110.149 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.6 114.49 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.783 -0.644 . . . . 73.13 110.277 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.508 HD13 ' HG2' ' A' ' 69' ' ' ARG . 76.4 mt -79.39 96.08 5.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.227 -0.442 . . . . 62.15 110.663 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -101.57 90.77 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 73.04 111.0 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.43 93.26 8.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.525 . . . . 44.34 109.793 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 61' ' ' LEU . 24.8 t . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.59 . . . . 70.32 111.409 -173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tp . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.054 0.455 . . . . 64.43 111.278 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -74.17 147.05 42.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.571 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -60.11 -45.98 91.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.729 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.039 0.447 . . . . 52.03 111.403 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.97 -46.21 88.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.881 -0.6 . . . . 74.24 111.525 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -64.45 -38.43 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 61.31 110.545 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.07 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.772 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.95 -42.46 73.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.868 -0.333 . . . . 64.15 110.402 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.2 tt0 -62.12 -40.06 94.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 74.35 110.163 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 56.7 t90 -58.04 -50.25 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 73.42 110.108 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.47 -42.25 91.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.44 111.094 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.6 tt0 -59.5 -37.1 77.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 75.31 111.483 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' GLN . 28.0 t -90.66 -19.41 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.491 . . . . 74.42 111.228 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -101.84 -60.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -168.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.3 mmtt -106.83 -19.97 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.885 0.328 . . . . 73.34 111.885 -169.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.673 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 35.0 tp -46.66 -56.0 12.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 113.315 0.858 . . . . 63.01 113.315 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 85.9 Cg_endo -88.66 17.91 1.58 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.82 1.68 . . . . 73.32 113.725 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.1 -31.89 2.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.422 0.527 . . . . 71.14 112.422 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.0 m -91.11 160.06 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.5 . . . . 73.03 111.782 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 13.5 p -87.82 171.33 10.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 54.54 110.306 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.52 -36.81 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.103 0.409 . . . . 74.42 112.103 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -60.27 -51.19 70.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 55.55 110.594 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.715 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 12.4 m -66.58 -37.3 84.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.991 -0.549 . . . . 74.52 110.621 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 9.4 mtpm? -57.31 -51.56 68.87 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.302 -0.408 . . . . 73.43 110.453 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 mtm180 -63.31 -28.83 70.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 74.13 111.629 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -61.24 -52.33 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.901 -0.32 . . . . 73.15 110.294 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -62.67 -45.62 91.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 61.05 111.213 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 46.3 mt-10 -64.06 -42.72 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.637 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 26.3 m -68.17 -37.94 81.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 62.53 110.506 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.2 93.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.148 0.499 . . . . 62.34 109.707 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.22 -32.93 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.223 -0.899 . . . . 75.22 110.915 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 40.8 mmtm -62.92 -47.12 84.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.0 0.429 . . . . 75.21 110.254 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' CD2' ' HE1' ' A' ' 59' ' ' TYR . 96.3 m-70 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 65.54 110.391 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -67.78 -39.57 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 64.05 110.037 175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.676 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.7 tppt? -59.71 -30.03 68.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.503 -0.772 . . . . 72.44 111.075 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.56 -42.5 16.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 70.22 111.861 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -86.73 -54.79 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.901 0.334 . . . . 72.42 111.901 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.607 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 71.5 m-85 -96.87 58.32 1.61 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.146 0.498 . . . . 75.21 110.442 -175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 85.9 mtt180 -64.82 -57.49 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 73.4 111.353 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -113.04 23.15 13.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.198 0.523 . . . . 70.32 110.47 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.607 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 37.8 tptt -83.98 120.47 26.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.666 -0.697 . . . . 74.55 109.87 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 88.0 mt -70.24 151.89 44.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 70.51 111.033 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.61 -35.74 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.652 . . . . 72.43 110.9 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -81.7 -10.08 59.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.631 . . . . 73.53 111.579 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 4.2 t70 -99.05 7.58 45.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.538 . . . . 71.21 110.646 -172.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -80.02 97.39 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.378 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 9.0 mptt -84.13 160.48 20.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.688 -0.486 . . . . 75.04 109.688 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.956 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 97.8 mtt180 -61.96 -38.81 89.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.109 -0.496 . . . . 73.03 111.16 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -69.19 -40.79 77.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 74.33 111.309 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 5.4 mm-40 -59.6 -48.96 79.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.639 0.733 . . . . 64.24 109.686 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 16.1 t80 -62.99 -39.61 95.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.583 -1.19 . . . . 75.12 110.81 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.94 -42.05 85.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.403 . . . . 72.42 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.05 -37.32 71.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.989 0.424 . . . . 74.23 110.907 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.1 t80 -64.7 -43.5 93.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 63.24 110.403 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HB3' HD11 ' A' ' 68' ' ' ILE . 92.6 mt -68.56 -37.19 79.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 61.23 111.283 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.9 m-20 -55.22 -48.81 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 73.42 110.032 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.8 -40.02 93.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.52 0.676 . . . . 71.12 110.512 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 20.0 t80 -71.62 -36.22 70.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.773 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.88 -7.91 87.37 Favored Glycine 0 CA--C 1.517 0.163 0 C-N-CA 121.386 -0.435 . . . . 61.24 112.575 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.8 mt -90.15 -10.9 42.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 74.31 110.715 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.7 p -119.33 -38.21 3.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.49 . . . . 72.22 112.09 -176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -108.91 170.86 7.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 74.33 111.385 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -84.49 -179.95 7.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.756 -0.656 . . . . 74.31 111.054 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 91.1 t80 -68.36 -47.34 67.69 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 20.1 tt0 -64.91 -36.33 84.03 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.096 -0.642 . . . . 75.13 110.375 -175.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -61.17 -48.32 82.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 73.14 110.755 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 56' ' ' LEU . 12.1 tt -72.74 -34.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 72.22 110.444 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' A' ' 98' ' ' LEU . 31.6 ttt-85 -60.34 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.694 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.586 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 22.3 mtpt -69.83 -36.72 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.913 -0.585 . . . . 75.52 110.844 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.453 HD21 ' CE2' ' A' ' 55' ' ' PHE . 27.9 tp -54.34 -53.92 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.089 0.471 . . . . 53.13 110.122 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 8.3 t30 -58.43 -36.91 74.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.27 -0.877 . . . . 63.44 111.033 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -63.92 -47.48 80.39 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.517 -0.31 . . . . 64.21 110.463 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.77 -48.85 78.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.063 0.459 . . . . 72.4 110.21 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.77 -40.89 90.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 71.4 110.447 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 76' ' ' ARG . 20.7 ttp85 -57.49 -48.26 79.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.814 -0.63 . . . . 74.43 110.826 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.39 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 62.34 110.834 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.86 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 32.11 111.168 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.11 -38.53 82.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 72.41 110.708 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.6 t70 -64.39 -37.69 88.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.965 -0.561 . . . . 64.05 110.016 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 14.1 t70 -59.48 -54.39 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 71.12 110.071 173.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -57.54 -50.15 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.524 -0.762 . . . . 53.12 111.574 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.5 tt -65.59 -35.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 60.01 111.114 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -67.09 -29.36 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.293 0.568 . . . . 73.34 110.296 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 29.5 mm-40 -94.66 -1.96 52.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.797 -0.638 . . . . 72.24 110.675 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.63 21.56 63.78 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 63.1 112.4 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.52 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 2.4 t80 -73.68 -50.97 18.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.248 0.547 . . . . 72.54 109.619 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.0 -174.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.534 -0.757 . . . . 73.14 110.398 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 89' ' ' ILE . 10.9 tp -138.01 19.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.036 0.922 . . . . 74.12 108.919 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -94.97 120.73 35.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.149 -0.932 . . . . 75.21 111.13 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -123.1 90.68 50.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 121.099 0.476 . . . . 55.41 110.358 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.956 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 91.6 Cg_endo -87.3 -3.67 7.74 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.816 2.344 . . . . 74.34 112.46 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 p -74.71 -15.11 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.979 0.733 . . . . 72.42 112.979 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.99 -53.8 53.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.827 0.346 . . . . 71.5 111.303 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 95' ' ' LYS . 41.2 tptt -87.58 9.6 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.2 0.524 . . . . 54.54 110.707 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.41 94.6 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.634 -0.712 . . . . 62.33 110.325 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.9 119.38 32.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.408 0.623 . . . . 64.45 109.962 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 69' ' ' ARG . 47.6 mt -81.13 76.27 8.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.462 -0.79 . . . . 75.14 110.734 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -96.73 103.49 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.0 -0.545 . . . . 73.03 110.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.21 10.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 64.35 110.026 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.737 -0.665 . . . . 75.01 110.42 -178.433 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 tp . . . . . 0 C--O 1.237 0.403 0 CA-C-O 121.219 0.533 . . . . 73.43 111.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -71.94 147.9 46.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.584 -0.734 . . . . 43.13 110.724 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -59.91 -40.21 88.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.51 110.946 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.21 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 63.44 111.378 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.96 -29.65 68.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.956 -0.566 . . . . 64.43 111.184 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -70.4 -43.19 70.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.587 -0.279 . . . . 74.12 110.351 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.57 -50.59 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 71.21 110.699 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . 50.9 t80 -66.73 -42.06 86.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 65.21 110.745 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.9 tt0 -59.55 -52.77 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 72.32 110.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -54.27 -45.32 72.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.65 -0.704 . . . . 73.13 111.006 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 25.8 t80 -64.34 -50.93 65.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.001 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 11.2 tm-20 -59.23 -34.45 72.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.941 -0.572 . . . . 74.31 110.922 -175.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 10' ' ' GLN . 94.2 t -78.21 -34.93 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.474 -0.33 . . . . 50.4 111.799 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 19' ' ' HIS . 29.2 m-20 -111.12 -68.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.137 0.791 . . . . 73.3 113.137 -169.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 60.2 mmtt -79.17 -18.51 52.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.647 0.24 . . . . 44.03 111.647 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.725 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 30.5 tp -43.14 -59.64 3.0 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.871 1.063 . . . . 75.1 113.871 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.4 Cg_endo -78.88 -16.67 12.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.008 1.805 . . . . 61.31 113.319 -172.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 15' ' ' ASN . 88.4 m-70 -92.53 -30.38 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.587 -0.278 . . . . 75.21 111.397 -171.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 34.1 m -79.89 158.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.939 0.4 . . . . 70.42 111.498 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.543 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 6.2 t -77.03 172.77 12.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.624 . . . . 74.3 110.104 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.67 -46.53 85.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 70.13 109.932 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 p -60.96 -46.08 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 31.13 110.732 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 21.1 m -56.92 -39.59 74.75 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.333 -0.394 . . . . 64.5 110.922 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.0 mtpm? -52.95 -54.17 38.89 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.154 0.502 . . . . 74.15 110.398 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 19.8 mmt180 -66.09 -27.03 67.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.131 -0.94 . . . . 75.3 111.215 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -59.14 -43.91 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.893 -0.41 . . . . 64.32 109.893 170.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -66.4 -44.19 83.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 75.11 110.766 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -55.33 -45.49 76.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.933 0.397 . . . . 61.13 111.034 175.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -65.69 -39.45 91.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.644 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.75 73.77 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.063 -0.517 . . . . 74.04 110.096 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 33.4 t80 -55.23 -44.96 75.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 72.34 112.18 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -68.41 -38.93 81.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.942 -0.303 . . . . 64.55 110.984 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -68.95 -40.3 79.02 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.81 0.338 . . . . 74.32 110.556 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.32 -46.66 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.237 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.0 ttmt -60.22 -42.77 95.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 64.11 111.525 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.25 -35.7 81.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 73.23 111.629 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.61 -53.87 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.135 0.493 . . . . 72.55 111.584 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.759 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 69.7 m-85 -96.6 51.22 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 71.21 110.194 -175.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 74.1 mtm-85 -51.23 -45.41 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.399 -0.819 . . . . 73.24 112.625 -173.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -130.65 35.79 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.13 0.49 . . . . 75.1 110.642 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 1.3 tpmt? -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.926 -0.579 . . . . 73.15 109.766 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 79.0 mt -71.71 156.67 39.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.394 -0.366 . . . . 63.24 111.152 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.29 -47.46 75.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.679 -0.691 . . . . 73.22 111.58 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.788 ' HA ' HG23 ' A' ' 88' ' ' VAL . 15.0 pttp -87.17 1.11 54.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.02 -0.536 . . . . 63.04 111.338 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 13.3 t70 -103.82 9.29 37.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.451 0.643 . . . . 72.23 110.403 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 42' ' ' LYS . 50.4 mm -69.18 124.28 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.411 -0.813 . . . . 61.51 110.479 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.971 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 20.4 mtpp -95.16 144.36 25.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.378 -0.601 . . . . 70.31 109.378 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -60.26 -34.84 74.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 62.33 111.774 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -70.43 -40.96 73.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.681 0.277 . . . . 62.3 111.401 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.971 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 3.0 mm-40 -63.04 -41.15 99.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.543 0.687 . . . . 71.05 109.484 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HE1' HD13 ' A' ' 75' ' ' ILE . 69.6 t80 -66.84 -35.86 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.44 110.39 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -61.83 -49.59 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 75.44 110.071 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -67.18 -30.9 70.98 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.805 0.336 . . . . 44.43 110.839 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.93 -47.51 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.011 -0.54 . . . . 73.51 110.195 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 68' ' ' ILE . 94.1 mt -65.31 -35.92 82.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 73.13 110.93 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -64.14 -37.63 88.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.215 -177.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.19 -39.58 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.538 . . . . 75.22 110.451 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 22.4 t80 -66.45 -34.19 77.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 63.21 110.198 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.33 -10.63 84.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.125 -0.56 . . . . 61.2 112.716 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.1 mt -91.37 -21.53 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 75.31 110.679 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -105.42 -28.68 10.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.948 -0.569 . . . . 52.31 111.851 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -126.4 166.01 17.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.094 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -72.02 163.14 28.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.362 -0.381 . . . . 74.42 110.578 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 83.8 t80 -60.78 -33.86 73.62 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.07 -0.514 . . . . 74.25 111.143 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.03 -38.67 86.31 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.612 -0.435 . . . . 65.33 110.179 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -64.64 -49.87 69.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.792 -0.64 . . . . 53.04 110.609 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.1 tt -65.75 -33.72 65.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.462 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 6.9 ttm180 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.097 0.475 . . . . 73.24 110.174 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -69.69 -37.66 76.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.833 -0.621 . . . . 73.41 111.093 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 tp -52.27 -54.93 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.319 0.581 . . . . 74.23 109.873 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.611 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 14.9 t-20 -57.98 -37.35 74.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.046 -0.979 . . . . 75.42 111.247 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 t -63.02 -42.67 99.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.716 0.293 . . . . 71.14 111.095 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.9 -45.12 90.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.346 0.593 . . . . 74.22 109.875 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.511 HD13 ' HE1' ' A' ' 52' ' ' TYR . 78.2 mt -63.25 -34.71 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.176 -0.92 . . . . 74.44 111.056 -178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 52.5 mtt180 -60.7 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.678 -0.237 . . . . 73.34 110.48 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -68.19 -33.91 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 52.14 110.645 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.71 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 65.04 110.584 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -65.25 -38.54 90.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 74.13 110.908 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.43 ' HA ' HG22 ' A' ' 83' ' ' ILE . 8.5 t70 -64.33 -40.38 95.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.094 0.473 . . . . 64.14 110.834 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -43.71 92.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.003 -0.544 . . . . 73.35 109.875 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.54 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 64.12 112.071 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' A' ' 80' ' ' ASP . 14.8 tt -65.86 -31.81 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.758 0.313 . . . . 74.44 110.867 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -64.98 -21.65 66.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.118 0.485 . . . . 64.13 110.167 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.45 -10.17 33.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 75.41 111.052 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.26 21.37 75.76 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 110.992 -0.843 . . . . 55.54 110.992 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -84.42 -24.95 29.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.991 -0.605 . . . . 75.23 109.932 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.788 HG23 ' HA ' ' A' ' 45' ' ' LYS . 9.9 p -134.21 164.03 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.594 -0.73 . . . . 62.23 109.288 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 pt -90.22 -167.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.97 0.414 . . . . 52.54 111.369 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -51.97 144.58 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.196 -0.911 . . . . 72.22 111.303 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 22.0 t-20 -73.8 120.94 83.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.214 -0.903 . . . . 73.05 112.192 -167.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 36.4 Cg_endo -65.84 -15.24 48.21 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.362 2.708 . . . . 62.21 111.905 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -67.84 -4.1 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.718 0.771 . . . . 62.31 110.506 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -54.88 -36.15 64.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.444 -0.798 . . . . 74.52 111.208 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.809 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -106.88 26.63 9.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 62.01 110.185 -176.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.89 107.62 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 45.01 111.85 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 50.7 mt-10 -103.09 114.79 29.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 73.13 110.416 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 56' ' ' LEU . 75.5 mt -88.61 93.06 9.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.759 -0.46 . . . . 72.2 109.759 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 97' ' ' GLU . 61.0 m-70 -99.45 82.66 2.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 73.34 110.864 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.28 102.88 15.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 74.33 109.196 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.408 -176.018 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt . . . . . 0 C--O 1.236 0.388 0 N-CA-C 108.876 -0.786 . . . . 73.12 108.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 p -67.85 143.61 55.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.867 0.365 . . . . 71.43 110.774 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 25.8 t80 -62.6 -36.71 83.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.51 111.088 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.49 -0.323 . . . . 44.42 111.375 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.37 -44.8 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 60.54 110.492 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.68 -43.62 89.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.866 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.89 -49.0 79.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 62.53 111.016 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -65.78 -45.34 82.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.413 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.3 tt0 -59.94 -43.9 94.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 55.01 110.457 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -56.73 -48.26 78.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 70.32 110.74 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.43 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.0 t80 -61.5 -45.81 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.956 176.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.745 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.1 tt0 -61.49 -39.1 89.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 75.42 111.526 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' GLN . 98.6 t -75.53 -22.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.717 0.294 . . . . 72.12 111.565 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.476 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 39.6 m-80 -110.97 -73.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.727 0.64 . . . . 71.41 112.727 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 4.1 mptp? -84.94 -13.27 51.25 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.777 0.658 . . . . 74.21 112.777 -167.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.745 HD22 ' HG3' ' A' ' 13' ' ' GLU . 38.7 tp -49.95 -58.34 9.74 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.31 0.856 . . . . 62.23 113.31 -171.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.9 Cg_endo -82.93 18.79 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 121.996 1.797 . . . . 45.23 113.277 -174.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -124.08 -43.05 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.777 0.322 . . . . 73.11 111.154 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.73 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 29.4 m -82.44 147.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.05 0.452 . . . . 62.05 111.606 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 23.9 m -77.48 171.37 15.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 74.12 110.439 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -34.54 69.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.484 -0.325 . . . . 55.14 111.317 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 p -59.0 -45.83 89.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.432 -0.349 . . . . 74.14 110.758 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.73 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 13.4 m -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 74.24 110.502 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 21' ' ' SER . 51.1 mtpt -58.95 -41.49 87.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 75.31 110.718 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 30.2 mmm180 -65.1 -30.06 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 73.42 111.448 -178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -64.87 -45.78 84.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 75.44 110.035 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.28 -41.18 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.978 -0.556 . . . . 63.24 111.229 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 37.0 mt-10 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.095 -0.242 . . . . 73.31 110.658 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.897 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 32.5 t -62.54 -45.78 91.41 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.664 -0.495 . . . . 72.35 109.664 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.69 89.88 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.663 -0.699 . . . . 73.13 110.292 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -58.37 -44.39 88.83 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.779 -0.646 . . . . 75.34 111.175 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.897 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 48.6 mtmt -53.71 -51.6 62.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.863 0.363 . . . . 74.23 111.538 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.65 -35.0 79.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.244 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.46 -40.62 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.252 0.549 . . . . 64.11 109.871 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 48.7 tttp -61.84 -26.24 68.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.214 -0.903 . . . . 64.32 110.894 175.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.38 -47.57 13.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.448 -0.342 . . . . 72.42 111.303 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -87.41 -48.33 8.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.691 0.626 . . . . 74.31 112.691 -173.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 75.0 m-85 -107.59 70.49 0.78 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.241 0.543 . . . . 74.24 110.929 -173.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 57.9 mtt180 -81.44 -36.19 29.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.535 -0.757 . . . . 72.42 112.268 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -134.22 17.68 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 64.5 111.115 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.689 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 16.1 ttmm -86.74 118.54 26.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.499 -0.556 . . . . 71.02 109.499 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.1 mt -62.66 157.56 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 71.35 111.445 -177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.1 -31.91 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.375 -0.83 . . . . 65.33 110.653 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -88.4 -9.28 53.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.813 -0.63 . . . . 71.04 111.284 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.3 10.09 39.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.412 0.625 . . . . 65.45 110.357 -172.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.613 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 46.9 mm -77.25 96.53 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.731 -0.668 . . . . 74.31 110.32 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 ttmp? -70.53 129.92 40.5 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.933 -0.766 . . . . 63.45 108.933 175.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 49' ' ' ARG . 14.5 ptt180 -61.88 -26.44 68.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 74.32 110.932 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 31.1 m -65.83 -38.57 89.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.392 -0.367 . . . . 65.33 110.307 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.738 ' HA ' ' HD2' ' A' ' 54' ' ' LYS . 48.7 mt-10 -71.13 -33.84 70.48 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.318 -0.401 . . . . 64.04 110.299 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 93' ' ' THR . 72.6 t80 -67.81 -41.29 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 72.34 110.146 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -62.48 -39.77 94.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 75.34 110.068 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.738 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 59.5 mttm -56.76 -48.65 77.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.204 0.526 . . . . 73.13 110.07 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 71' ' ' LEU . 85.2 t80 -56.03 -46.33 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.098 -0.955 . . . . 74.14 111.024 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.97 -40.87 95.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 74.34 111.671 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.4 m-20 -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.702 0.287 . . . . 54.13 110.823 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.83 -34.17 69.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.995 0.426 . . . . 71.53 110.692 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.6 -38.23 73.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 73.33 110.103 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.43 -5.41 82.2 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.967 -0.56 . . . . 72.44 112.713 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 101' ' ' SER . 87.3 mt -91.1 -14.06 31.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 74.21 110.497 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -120.64 -1.98 9.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.187 -0.461 . . . . 62.31 111.879 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.4 m80 -145.38 164.36 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 64.01 111.174 -174.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.4 m -83.09 176.61 9.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 53.41 111.116 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -59.95 -42.32 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.706 -0.679 . . . . 72.32 111.612 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.94 -43.45 98.63 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.864 -0.334 . . . . 74.34 111.585 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -62.13 -45.56 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 75.32 111.039 -175.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.99 -34.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.433 -0.349 . . . . 72.21 110.789 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -61.77 -50.09 73.77 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.024 0.44 . . . . 75.05 110.476 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 43.3 mttt -64.58 -42.63 95.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.559 -0.746 . . . . 71.12 110.604 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 55' ' ' PHE . 33.7 tp -52.65 -57.34 10.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 71.2 110.952 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -57.72 -40.2 79.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 74.03 111.203 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -61.54 -43.71 98.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 73.22 111.396 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.3 m-85 -63.95 -46.27 85.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.463 0.649 . . . . 75.44 109.762 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.5 mt -65.06 -40.25 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.957 -1.019 . . . . 62.14 111.191 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HE ' ' HB ' ' A' ' 93' ' ' THR . 46.2 mtt180 -61.07 -47.72 85.05 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.681 -0.236 . . . . 72.45 111.015 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.16 -37.79 81.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.547 -0.297 . . . . 72.42 111.049 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.87 61.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 61.43 111.273 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.613 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 25.3 m-85 -63.66 -43.26 97.23 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.705 0.288 . . . . 75.54 111.215 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 83' ' ' ILE . 26.3 t70 -61.18 -34.25 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.151 -0.477 . . . . 62.12 111.036 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.599 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 34.5 t70 -73.78 -34.81 64.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.77 0.319 . . . . 71.01 110.536 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -61.59 -38.33 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.318 -0.623 . . . . 73.0 109.318 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' PHE . 84.4 mt -65.49 -32.7 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.571 -0.741 . . . . 71.33 110.978 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.599 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 54.5 m170 -55.14 -52.19 64.05 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.356 -0.384 . . . . 74.15 110.987 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -84.83 -27.41 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.384 -0.371 . . . . 74.02 110.51 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.25 54.88 0.69 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.796 -0.716 . . . . 75.25 112.36 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.635 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -89.91 -70.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.981 0.42 . . . . 72.41 110.393 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.89 177.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 64.31 111.471 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.85 -57.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 75.11 110.055 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 4.0 mmtp -163.62 -168.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 71.23 110.013 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -89.86 113.8 58.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.286 -0.416 . . . . 70.44 110.393 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.95 7.55 2.0 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.625 2.883 . . . . 63.11 113.349 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' CE2' ' A' ' 52' ' ' TYR . 76.3 p -91.89 16.47 10.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.021 0.439 . . . . 74.25 110.641 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.7 -51.76 68.57 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.617 -0.72 . . . . 71.44 109.997 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -101.99 81.41 2.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.666 -0.697 . . . . 72.23 109.318 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.88 4.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 51.41 110.856 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -118.77 152.57 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.896 0.379 . . . . 73.12 110.338 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 mt -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 72.22 109.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -86.02 65.61 9.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 64.32 111.014 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.26 102.55 0.86 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 64.52 109.871 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.672 ' HB2' HD23 ' A' ' 61' ' ' LEU . 4.5 m . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 73.22 110.716 -173.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.614 HG22 ' HE2' ' A' ' 87' ' ' TYR . 14.9 tt . . . . . 0 C--O 1.236 0.381 0 N-CA-C 110.199 -0.297 . . . . 61.12 110.199 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 64.2 p -75.22 146.85 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.084 -0.339 . . . . 74.32 110.084 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.51 -36.17 81.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.505 -0.316 . . . . 73.01 111.245 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.25 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 73.13 111.054 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.28 -35.03 79.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 54.1 110.521 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.34 -47.43 86.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 72.33 111.007 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.1 -49.27 78.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 74.53 111.006 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 58.8 t80 -65.58 -41.25 93.1 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.915 -0.314 . . . . 74.24 110.496 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.27 -47.22 85.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 61.31 110.205 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.593 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.9 t90 -55.96 -49.79 72.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 74.53 110.338 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.649 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.9 t80 -61.69 -48.34 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.091 -0.504 . . . . 75.52 111.898 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.751 ' HG3' HD22 ' A' ' 17' ' ' LEU . 45.4 tt0 -60.05 -34.57 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 72.35 111.8 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.04 -25.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.837 0.351 . . . . 73.15 111.536 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.593 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.2 m-20 -106.06 -37.87 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.312 0.856 . . . . 65.14 113.312 -167.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.5 mmtt -123.36 -17.26 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.49 0.552 . . . . 73.1 112.49 -171.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 13' ' ' GLU . 25.1 tp -49.37 -58.95 7.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 113.339 0.866 . . . . 63.02 113.339 -171.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 4.2 Cg_endo -83.2 7.52 5.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.171 1.914 . . . . 74.05 112.564 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.4 m-70 -109.83 -31.85 7.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 72.22 110.945 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.2 m -92.89 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 52.1 111.389 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.9 p -78.26 166.51 22.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 61.52 110.215 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.56 -34.24 73.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 74.22 110.897 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 p -61.34 -39.84 92.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.22 -0.446 . . . . 74.05 110.605 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.723 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 29.6 m -74.7 -33.63 62.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 75.42 110.266 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.649 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 12.2 mtpp -55.51 -44.54 76.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.209 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -53.71 -45.31 70.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.421 -0.808 . . . . 65.43 111.263 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.723 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -58.59 -52.33 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.776 0.322 . . . . 73.15 110.852 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -62.0 -48.88 78.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 73.31 111.56 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.23 -39.35 78.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.352 . . . . 74.34 111.796 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.9 m -64.78 -39.85 94.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.833 0.349 . . . . 73.33 110.184 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.56 -45.51 93.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.624 -0.51 . . . . 72.4 109.624 175.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 46.7 t80 -57.15 -35.22 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.316 -0.857 . . . . 74.25 111.288 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -43.04 95.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.598 0.237 . . . . 71.11 111.131 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -65.02 -35.97 82.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.114 0.483 . . . . 75.41 109.855 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 31' ' ' ALA . 89.6 mt -70.54 -45.12 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.87 -0.605 . . . . 71.32 110.672 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.62 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.947 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -83.17 -36.83 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.605 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -83.7 -57.19 3.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 74.4 111.307 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 93.6 m-85 -89.81 50.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.921 -0.581 . . . . 62.42 111.183 -171.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -62.8 107.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.426 -0.806 . . . . 75.14 110.369 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 3' ' ' THR . 6.4 m170 66.05 13.47 9.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.951 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.753 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 38.7 tttp -86.04 123.57 31.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.611 -0.268 . . . . 64.14 110.296 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 57.6 mt -72.03 151.9 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 71.44 110.274 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 88' ' ' VAL . 2.5 pt? -71.04 -15.54 62.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.299 -0.41 . . . . 71.31 111.229 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.72 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -97.39 11.55 36.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 54.44 112.153 -177.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 3.8 p30 -127.67 13.79 6.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.238 0.542 . . . . 70.45 109.97 170.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 39' ' ' PHE . 34.2 mm -74.34 112.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 72.35 109.483 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -82.82 164.96 20.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.745 0.307 . . . . 61.32 110.285 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -68.61 -35.48 77.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.607 -0.516 . . . . 44.5 109.607 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 p -70.64 -38.61 73.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.273 -0.876 . . . . 75.22 111.181 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -64.62 -39.14 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.148 0.499 . . . . 72.24 110.266 175.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 93' ' ' THR . 33.3 t80 -69.44 -38.87 78.02 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 74.51 110.393 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.32 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 15.5 ptpt -68.01 -29.34 68.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.003 0.43 . . . . 73.31 110.302 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 71' ' ' LEU . 89.5 t80 -65.16 -44.75 87.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.651 173.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.28 -39.29 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 63.51 110.983 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.72 -38.99 83.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 65.44 111.142 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.61 -41.25 63.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.189 0.519 . . . . 75.21 110.563 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.92 -33.78 76.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.962 -0.563 . . . . 75.31 110.398 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.77 -8.29 84.35 Favored Glycine 0 C--O 1.228 -0.238 0 CA-C-N 116.016 -0.538 . . . . 65.2 112.829 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 101' ' ' SER . 91.1 mt -91.15 -23.29 20.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.078 0.466 . . . . 70.12 110.595 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -104.27 -34.19 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.686 -0.688 . . . . 73.14 112.024 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -121.27 165.24 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.352 . . . . 73.43 111.241 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 p -75.88 173.85 10.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.79 -0.641 . . . . 75.43 111.781 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.86 -47.14 84.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 73.2 111.906 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 9.0 tt0 -61.5 -37.12 82.53 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.384 -0.526 . . . . 62.25 110.279 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 m -66.29 -46.27 77.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 61.14 110.871 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -71.15 -34.19 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 61.24 110.585 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HA ' HD22 ' A' ' 98' ' ' LEU . 63.2 ttt180 -61.39 -44.76 96.6 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.067 0.46 . . . . 74.12 110.212 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 20.7 mtpt -69.65 -36.8 76.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.665 -0.698 . . . . 64.33 110.904 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 55' ' ' PHE . 22.7 tp -53.31 -52.87 57.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.032 0.444 . . . . 75.21 110.666 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -55.16 -41.27 71.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.452 -0.794 . . . . 53.31 110.489 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -63.21 -42.73 99.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.855 -0.611 . . . . 71.22 111.141 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -62.89 -52.94 61.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 73.41 110.417 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.44 -43.98 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.567 -0.742 . . . . 75.2 111.361 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.58 -38.95 89.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.591 -0.277 . . . . 74.21 110.542 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -64.75 -40.5 95.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.98 0.419 . . . . 75.13 110.018 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.48 90.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 52.44 111.221 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.07 -31.77 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.346 . . . . 73.41 111.227 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 18.9 t70 -58.06 -34.67 70.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.464 175.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -76.43 -42.48 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 74.43 110.573 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.77 -44.38 81.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.081 -0.509 . . . . 72.32 110.962 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 tt -74.31 -33.26 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.091 0.472 . . . . 71.2 110.365 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.9 t-80 -63.65 -31.93 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 74.22 109.779 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.36 -48.85 12.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.122 -0.944 . . . . 65.4 109.356 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.2 12.72 11.66 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.069 -1.212 . . . . 75.3 110.069 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.614 ' HE2' HG22 ' A' ' 2' ' ' ILE . 5.4 t80 -69.83 -37.56 76.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.661 -0.77 . . . . 75.14 109.721 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 45' ' ' LYS . 47.1 t -132.83 131.56 59.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.222 -0.899 . . . . 61.11 108.656 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.54 -33.06 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.233 0.457 . . . . 70.13 112.233 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 74.31 110.805 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 14.6 p-10 -94.51 138.88 22.23 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.932 -0.576 . . . . 70.34 111.103 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 36.4 Cg_exo -63.09 -19.66 69.42 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.719 2.946 . . . . 73.52 113.198 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.427 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.3 p -75.05 68.48 1.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.663 0.744 . . . . 52.32 110.557 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.601 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 64.1 t80 -106.9 -45.23 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.073 -0.967 . . . . 63.25 110.76 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -134.72 28.33 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.442 . . . . 74.55 110.786 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.04 134.99 55.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 75.13 111.793 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -116.53 137.04 52.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.486 -0.779 . . . . 72.41 110.528 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 69' ' ' ARG . 70.3 mt -76.45 97.01 4.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.935 -0.765 . . . . 72.1 108.935 171.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -113.78 90.6 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.109 -0.496 . . . . 60.23 110.967 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.07 124.79 50.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.131 -0.486 . . . . 40.52 110.03 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.653 ' HB3' HD23 ' A' ' 61' ' ' LEU . 38.2 t . . . . . 0 C--N 1.322 -0.609 0 CA-C-O 121.231 0.538 . . . . 65.11 109.997 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.616 HG21 ' HD1' ' A' ' 7' ' ' TYR . 14.5 tt . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.084 -0.339 . . . . 53.13 110.084 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.6 p -70.47 148.86 47.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.272 -0.27 . . . . 73.44 110.272 177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.488 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 18.8 t80 -60.29 -38.68 84.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 73.03 110.771 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.23 69.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 64.52 111.17 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.38 -33.28 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.6 -0.273 . . . . 62.03 111.111 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.616 ' HD1' HG21 ' A' ' 2' ' ' ILE . 49.5 t80 -63.59 -43.03 98.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.847 -0.427 . . . . 74.31 109.847 177.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.93 -44.82 95.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.613 -0.721 . . . . 73.5 110.294 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -65.11 -47.2 78.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 72.01 110.72 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.21 -51.56 69.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.006 -0.543 . . . . 73.31 110.153 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -52.35 -45.39 65.67 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.217 -0.901 . . . . 71.15 110.952 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.646 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.2 t80 -65.7 -58.07 6.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.915 -0.584 . . . . 72.33 111.693 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.13 -38.17 82.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 75.33 111.933 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.69 -21.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.109 0.411 . . . . 64.41 112.109 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -124.52 -55.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.501 0.926 . . . . 72.21 113.501 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.4 mmtt -80.57 -12.07 59.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.273 0.472 . . . . 63.54 112.273 -167.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 46.1 tp -47.35 -55.41 16.29 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.391 0.885 . . . . 64.53 113.391 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 88.8 Cg_endo -80.99 8.05 4.56 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.79 1.66 . . . . 70.42 113.559 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -119.82 -1.22 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.673 0.273 . . . . 63.32 111.343 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.9 m -113.13 159.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.926 0.394 . . . . 73.21 111.294 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 89.2 p -97.05 177.09 5.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.195 -0.669 . . . . 73.1 109.195 174.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.68 -32.09 73.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.701 -0.481 . . . . 72.34 109.701 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.792 -0.64 . . . . 72.42 109.393 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.788 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 3.1 m -62.64 -40.11 95.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.209 -0.451 . . . . 50.33 110.317 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.646 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 97.6 mttt -56.8 -51.03 70.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.242 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.82 -33.72 70.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.859 -0.61 . . . . 71.01 111.542 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' THR . 54.1 m-70 -59.75 -51.44 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 71.54 110.389 172.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.03 -43.77 98.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 72.33 111.252 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.12 -44.06 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 64.11 110.952 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.919 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 50.6 m -62.31 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.43 110.48 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.41 -53.11 61.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 74.32 110.318 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -56.24 -44.71 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.796 . . . . 71.21 111.975 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.919 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 65.1 pttt -71.69 -31.89 67.25 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.08 -0.248 . . . . 74.01 111.589 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 m-70 -75.73 -33.14 60.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.851 0.358 . . . . 74.33 110.491 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.9 mt -63.06 -51.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 63.13 110.69 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 18.7 ptpt -65.42 -27.28 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 74.13 110.792 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 11.7 t70 -58.5 -47.85 82.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.22 -0.445 . . . . 64.4 110.766 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -86.78 -46.61 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.702 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 77.0 m-85 -98.69 67.08 1.7 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.281 0.562 . . . . 74.02 111.56 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.52 115.67 10.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.725 -0.671 . . . . 75.43 110.629 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 m170 61.22 19.11 9.78 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.226 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -93.49 116.27 28.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.116 0.484 . . . . 64.1 111.252 -171.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 61.1 mt -60.7 145.7 48.39 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.349 -0.842 . . . . 74.34 109.834 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.852 ' HA ' HD13 ' A' ' 47' ' ' ILE . 2.5 pt? -67.13 -14.64 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 74.52 111.23 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -76.23 -15.58 60.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 74.2 110.68 176.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.435 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 10.7 t70 -95.19 -5.32 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 75.4 110.078 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.852 HD13 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mp -84.68 103.23 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 71.13 109.661 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HB2' ' OE1' ' A' ' 51' ' ' GLU . 10.4 mtmp? -95.16 150.67 19.95 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.328 -0.619 . . . . 73.42 109.328 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 2.9 ptp180 -56.35 -24.68 45.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.537 0.569 . . . . 70.1 112.537 -174.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 p -70.13 -39.48 75.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.422 -0.354 . . . . 61.42 111.403 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 48' ' ' LYS . 3.6 mp0 -76.2 -32.17 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.191 0.52 . . . . 41.04 109.773 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' CE1' HG21 ' A' ' 75' ' ' ILE . 44.2 t80 -60.54 -40.34 91.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 73.23 110.547 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -63.3 -37.71 88.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 65.13 110.367 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.22 -38.75 92.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.022 0.439 . . . . 73.1 110.292 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HD21 ' A' ' 71' ' ' LEU . 75.3 t80 -62.02 -50.78 70.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.758 -0.655 . . . . 64.14 110.384 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HB3' HD11 ' A' ' 68' ' ' ILE . 87.0 mt -62.35 -33.63 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.566 . . . . 73.23 110.781 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -58.73 -53.45 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 61.43 110.363 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.31 -39.47 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.177 0.513 . . . . 70.51 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -69.63 -38.6 77.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.909 -0.587 . . . . 73.25 110.69 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.21 -12.91 84.16 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.112 -0.495 . . . . 63.2 112.834 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -86.81 -15.98 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.919 0.39 . . . . 73.15 110.484 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -115.03 -20.43 10.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 62.02 112.492 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -123.5 170.57 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.892 0.377 . . . . 62.31 111.539 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -72.26 164.77 25.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.65 -0.705 . . . . 60.44 110.831 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.82 -46.69 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 54.14 111.373 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 25.6 tt0 -69.55 -28.21 65.8 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.711 -0.396 . . . . 63.42 110.699 -176.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -63.41 -48.86 76.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.584 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.4 tt -73.68 -34.56 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.99 0.424 . . . . 65.32 110.411 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' HD13 ' A' ' 98' ' ' LEU . 63.2 ttt180 -57.76 -49.63 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.538 . . . . 74.32 110.736 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.5 ttmt -69.87 -35.9 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.786 -0.643 . . . . 72.35 110.105 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.4 tp -55.78 -52.56 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.846 -0.616 . . . . 75.4 110.666 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -56.12 -39.68 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 73.51 110.784 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 t -62.45 -42.61 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 60.55 110.454 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 22.6 m-85 -59.56 -54.04 51.11 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.214 0.53 . . . . 74.13 110.443 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.488 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.2 mt -63.88 -43.43 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 55.34 111.753 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.794 ' HB3' HG21 ' A' ' 93' ' ' THR . 3.8 ptm180 -63.92 -36.98 85.72 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.763 -0.375 . . . . 75.24 110.511 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.35 -31.5 63.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.41 110.385 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.72 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.518 . . . . 60.23 110.347 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.45 -30.81 62.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 75.53 110.8 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.564 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.1 t70 -60.14 -33.06 71.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.394 0.616 . . . . 75.32 109.498 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.5 -48.34 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.359 -0.837 . . . . 72.43 110.059 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -65.56 -38.56 89.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 71.32 112.107 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.0 tt -73.47 -33.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 71.11 110.932 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -61.88 -28.88 69.82 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.426 0.631 . . . . 75.21 109.609 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.67 -48.46 7.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.079 -0.964 . . . . 52.53 109.868 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.96 37.93 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.417 -1.073 . . . . 73.22 110.417 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -86.19 -46.55 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.973 -0.613 . . . . 75.41 111.433 -173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.718 HG11 ' HG ' ' A' ' 44' ' ' LEU . 17.9 m -135.86 -158.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 70.22 110.64 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.57 168.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.559 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -56.91 -67.6 0.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.688 -0.687 . . . . 71.52 111.588 -175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.68 139.41 1.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.527 -0.306 . . . . 71.41 110.412 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.628 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 87.3 Cg_endo -79.39 -16.27 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.709 2.273 . . . . 75.21 112.764 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.794 HG21 ' HB3' ' A' ' 76' ' ' ARG . 69.9 p -77.21 0.21 22.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 64.51 110.791 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.37 -35.67 76.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 72.41 111.157 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 71.3 mmtt -120.12 28.89 7.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.453 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.37 153.74 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.086 0.469 . . . . 75.41 111.37 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' CD ' ' HD1' ' A' ' 99' ' ' HIS . 43.0 tt0 -145.38 144.28 30.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.48 -0.782 . . . . 72.55 109.792 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 69' ' ' ARG . 79.0 mt -104.54 36.55 2.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 74.3 112.082 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.423 ' HD1' ' CD ' ' A' ' 97' ' ' GLU . 1.5 m80 -77.91 92.2 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.647 -0.421 . . . . 73.44 110.985 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.68 110.55 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.779 -0.646 . . . . 31.5 110.041 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 61' ' ' LEU . 24.5 m . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 120.933 0.397 . . . . 63.33 111.35 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.529 HG22 ' OH ' ' A' ' 87' ' ' TYR . 11.0 tp . . . . . 0 C--O 1.237 0.396 0 CA-C-O 121.155 0.503 . . . . 74.33 110.189 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -76.45 150.82 36.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.747 -0.661 . . . . 61.25 111.031 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HD1' HD12 ' A' ' 44' ' ' LEU . 17.8 t80 -58.09 -46.87 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 70.02 111.355 -175.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.95 74.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.973 0.416 . . . . 31.31 111.212 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.09 -44.99 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 61.13 110.951 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HD1' HG21 ' A' ' 2' ' ' ILE . 63.9 t80 -61.8 -47.22 86.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.46 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.63 -52.78 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 72.1 111.609 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -71.79 -38.55 70.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 72.12 111.183 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -63.71 -44.39 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.126 0.489 . . . . 73.45 110.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -52.71 -45.11 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.377 -0.829 . . . . 73.13 110.143 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.572 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 17.6 t80 -66.24 -49.11 68.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.431 -0.804 . . . . 74.55 111.229 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.882 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.8 tt0 -57.2 -47.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 73.22 111.934 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.85 -28.33 42.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.534 -0.303 . . . . 74.13 111.582 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 16' ' ' LYS . 48.5 m-80 -111.52 -67.22 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.785 0.661 . . . . 63.31 112.785 -169.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.0 mptp? -88.57 -26.08 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.367 0.506 . . . . 61.34 112.367 -169.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' HG3' ' A' ' 13' ' ' GLU . 15.3 tp -42.75 -59.51 2.91 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 114.05 1.13 . . . . 73.32 114.05 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 14.7 Cg_endo -87.83 15.02 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.129 1.886 . . . . 64.1 113.303 -171.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -124.39 0.95 8.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.955 0.407 . . . . 74.44 110.717 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 14.1 m -121.48 153.3 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.113 -0.494 . . . . 73.25 110.451 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -93.77 178.22 5.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 62.32 110.073 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.4 mm-40 -49.66 -37.59 29.05 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.269 0.355 . . . . 73.02 111.411 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -50.73 -50.32 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 54.12 111.31 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.651 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 4.1 m -78.24 -33.47 49.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.223 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.6 mtpm? -63.17 -41.04 99.17 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.973 -0.558 . . . . 54.4 111.437 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.8 mtt180 -54.06 -37.76 64.53 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.112 0.258 . . . . 75.24 111.255 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -72.48 -44.94 61.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.358 -0.383 . . . . 71.14 110.508 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.27 -44.47 87.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.607 -0.27 . . . . 74.22 111.584 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.25 -42.68 99.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.86 0.362 . . . . 63.05 110.278 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 11.2 t -68.42 -36.6 79.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 70.41 110.185 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.17 68.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 73.15 110.162 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.488 -0.778 . . . . 75.31 111.721 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 22.3 ptmt -64.31 -38.7 91.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.597 -0.441 . . . . 54.53 111.173 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HD2' ' O ' ' A' ' 30' ' ' SER . 82.1 m-70 -73.53 -39.44 64.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.958 -0.297 . . . . 64.32 110.723 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.18 -49.46 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 CA-C-O 120.757 0.313 . . . . 71.11 110.227 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 25.1 ttmt -59.83 -29.56 68.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 74.34 111.213 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.32 -44.86 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.044 -0.525 . . . . 74.24 111.502 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -88.0 -42.59 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 74.51 111.575 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -114.25 90.26 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.373 0.606 . . . . 44.32 109.66 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 38.3 mtp85 -91.76 -50.25 5.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.389 -0.823 . . . . 73.25 111.109 -171.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -120.2 14.07 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 73.23 110.839 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -78.05 132.1 37.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 74.3 109.433 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 77.9 mt -71.61 162.36 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 74.11 110.386 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.486 HD12 ' HD1' ' A' ' 4' ' ' PHE . 40.6 tp -61.02 -52.89 63.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.27 0.557 . . . . 72.11 110.92 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -74.24 -7.25 52.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 74.33 110.945 -178.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.813 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.8 t70 -99.22 12.55 35.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 63.02 110.596 -169.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.7 mm -83.08 112.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 71.33 110.209 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -75.18 129.52 37.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 60.34 110.511 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -53.39 -31.27 44.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.405 -0.816 . . . . 64.21 111.758 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 4.1 p -70.37 -43.77 69.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 74.04 111.078 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.639 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 26.2 mm-40 -66.91 -33.89 76.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.276 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -62.9 -34.82 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.621 -0.718 . . . . 75.24 110.281 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 50' ' ' THR . 6.6 tp-100 -55.91 -45.02 78.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.572 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.26 -46.2 81.44 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.625 -0.261 . . . . 75.2 110.628 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 71' ' ' LEU . 72.4 t80 -54.47 -39.6 67.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 70.55 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD12 ' HB1' ' A' ' 96' ' ' ALA . 73.8 mt -74.07 -43.76 56.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.099 -0.5 . . . . 62.55 111.766 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 p30 -73.08 -24.83 60.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.426 -0.51 . . . . 74.54 111.557 -176.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.04 -35.36 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.411 0.624 . . . . 63.22 109.64 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.21 -36.16 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.613 -0.722 . . . . 75.44 110.549 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.33 -3.54 77.2 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.995 -0.548 . . . . 71.52 113.678 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 94.1 mt -90.17 -34.34 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.02 0.438 . . . . 74.41 110.112 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -90.99 -38.46 12.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.363 0.601 . . . . 71.1 111.108 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -115.26 143.76 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 72.52 109.648 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 t -77.46 -178.98 5.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 61.43 111.351 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.491 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.9 t80 -57.57 -41.37 80.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.471 -0.786 . . . . 75.34 111.917 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.49 -45.19 92.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.889 0.376 . . . . 70.15 111.242 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -72.36 -41.82 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.408 -177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.0 tt -67.0 -33.98 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 110.068 -0.345 . . . . 53.42 110.068 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -60.07 -46.4 89.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.008 0.433 . . . . 72.41 110.069 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -58.26 -50.31 74.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 61.41 110.472 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 55' ' ' PHE . 47.1 tp -52.41 -53.29 47.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 74.14 111.066 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.81 -38.32 84.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 60.53 110.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.41 111.089 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -65.31 -48.5 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 71.54 110.011 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.81 -48.18 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 75.34 111.082 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 76' ' ' ARG . 22.3 ttt180 -66.5 -33.45 75.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.273 -0.421 . . . . 42.34 110.973 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -40.04 76.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.248 -0.279 . . . . 44.15 110.248 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.64 97.09 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 64.51 110.689 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.19 -36.62 82.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.42 111.033 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 24.2 t70 -62.29 -41.85 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.668 -0.242 . . . . 64.34 110.63 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 53.15 110.494 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.54 -48.56 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 71.24 111.296 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 80' ' ' ASP . 15.0 tt -65.69 -31.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 74.23 110.239 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.3 t-80 -59.03 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.443 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.93 -16.14 25.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.861 -0.609 . . . . 73.32 110.555 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.01 11.91 58.26 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.986 -0.626 . . . . 34.21 111.809 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.529 ' OH ' HG22 ' A' ' 2' ' ' ILE . 22.8 t80 -71.61 -36.78 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 74.24 111.302 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' A' ' 45' ' ' LYS . 27.7 m -115.65 145.8 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.762 0.315 . . . . 75.04 110.371 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.2 tp -79.39 -50.69 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 63.13 111.429 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.29 159.09 42.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.769 -0.456 . . . . 74.24 109.769 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.11 143.54 26.3 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 53.42 110.875 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.71 -17.26 37.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.898 2.399 . . . . 61.0 112.594 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -75.39 76.08 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.432 0.634 . . . . 73.33 110.084 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -143.48 -62.44 0.4 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 70.32 109.934 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -96.15 25.23 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.772 0.796 . . . . 75.23 109.555 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.537 ' HB1' HD12 ' A' ' 56' ' ' LEU . . . -135.75 145.09 46.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.047 -0.979 . . . . 72.02 110.163 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 99' ' ' HIS . 8.9 pt-20 -135.58 170.27 16.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.32 -177.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.38 70.22 7.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.235 0.541 . . . . 44.42 109.865 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 97' ' ' GLU . 7.9 t60 -93.55 65.78 3.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.746 -0.661 . . . . 62.42 110.266 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.5 168.73 19.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 32.41 109.925 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.319 -0.721 0 C-N-CA 120.929 -0.309 . . . . 72.12 111.061 179.341 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt . . . . . 0 C--O 1.236 0.391 0 CA-C-O 121.016 0.436 . . . . 72.42 110.804 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' HB2' ' A' ' 41' ' ' HIS . 0.8 OUTLIER -70.52 141.31 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.842 -0.617 . . . . 62.33 110.857 176.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -59.85 -41.51 91.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.45 111.766 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.07 73.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.147 0.499 . . . . 62.43 110.83 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.6 -38.91 81.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.6 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -59.82 -46.53 88.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.837 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -58.91 -49.23 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.912 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 74.25 110.554 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.33 -47.59 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 73.45 110.418 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -53.96 -41.3 67.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 74.22 110.092 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.498 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 31.3 t80 -65.15 -57.95 7.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.942 -0.572 . . . . 73.25 110.707 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.54 -41.87 63.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.561 0.538 . . . . 53.15 112.24 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.72 -36.19 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.581 -0.282 . . . . 54.41 111.512 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.825 0.345 . . . . 62.54 111.594 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 107.25 16.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.34 -0.615 . . . . 53.32 109.34 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.923 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 27.4 tp -151.4 -61.95 0.02 OUTLIER Pre-proline 0 C--N 1.315 -0.891 0 C-N-CA 120.128 -0.629 . . . . 63.25 111.047 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.923 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.2 Cg_endo -85.13 -3.78 9.58 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.904 1.736 . . . . 73.42 111.426 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -104.22 -1.16 27.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.773 -0.649 . . . . 50.13 111.327 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.98 165.63 21.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.503 -0.317 . . . . 73.33 110.787 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -90.82 166.09 13.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.138 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.5 pt-20 -61.06 -29.21 69.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.622 -0.263 . . . . 71.22 110.635 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 p -60.59 -43.42 97.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.198 0.523 . . . . 73.33 110.194 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -64.2 -37.41 87.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.41 110.152 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 7.5 mtpm? -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.078 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 79.7 mtt180 -58.99 -37.86 77.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 73.21 111.041 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -60.92 -54.02 50.12 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.918 0.39 . . . . 73.31 110.881 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -62.67 -40.64 97.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.645 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.92 -36.35 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.455 0.169 . . . . 71.13 111.163 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.645 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 66.8 m -65.58 -39.06 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.412 . . . . 62.14 109.925 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.81 -51.22 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.639 . . . . 55.13 110.024 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.31 -44.1 79.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.166 -0.925 . . . . 75.3 112.166 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 63.8 pttt -69.99 -32.25 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.838 -0.345 . . . . 74.3 111.147 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -75.92 -32.6 59.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.881 0.372 . . . . 74.34 110.393 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.1 mt -63.06 -47.15 94.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.515 -0.55 . . . . 70.13 109.515 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.3 ttmt -64.06 -28.06 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 70.52 110.639 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.98 -42.95 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.874 -0.603 . . . . 75.23 111.178 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -87.32 -48.38 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 74.02 111.22 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -114.66 82.35 1.71 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.459 -0.571 . . . . 73.52 109.459 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 24.7 mtm180 -59.43 -39.6 84.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.807 -173.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.6 OUTLIER -156.24 57.76 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.876 0.846 . . . . 61.22 110.306 174.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -89.79 142.59 27.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 72.31 108.6 177.097 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 90.5 mt -68.71 160.46 30.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.661 0.267 . . . . 64.12 110.862 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.8 -43.04 90.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 42.03 111.455 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 pttt -93.6 14.58 18.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.084 0.469 . . . . 74.43 110.435 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t0 -106.99 6.36 29.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.618 0.723 . . . . 65.42 109.962 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 ' HG2' ' A' ' 42' ' ' LYS . 27.0 mm -92.97 109.89 22.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.334 -0.848 . . . . 73.41 110.156 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.928 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 88.8 mttt -74.77 149.97 39.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 72.53 110.537 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 12.3 ptt180 -66.71 -33.83 76.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 74.23 110.545 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 12.7 p -70.88 -33.82 70.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 53.21 111.404 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.928 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 10.1 mm-40 -68.7 -37.3 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.406 0.622 . . . . 75.12 109.42 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.45 -35.7 80.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 70.45 110.33 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.422 HE22 ' HG2' ' A' ' 97' ' ' GLU . 7.8 tp-100 -60.81 -44.09 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 71.41 110.371 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' THR . 50.3 mttm -64.44 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.238 0.542 . . . . 72.01 110.276 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CE2' HD21 ' A' ' 71' ' ' LEU . 77.9 t80 -63.44 -49.12 74.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.413 -0.812 . . . . 63.41 110.551 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.91 -39.83 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 72.13 110.872 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 14.8 t-20 -57.51 -50.06 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 73.44 110.59 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.28 -39.43 86.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.074 -0.512 . . . . 63.52 111.156 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -66.65 -35.11 79.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 65.13 110.544 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.72 -12.0 84.85 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.077 -0.583 . . . . 33.42 112.61 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 91.4 mt -90.48 -14.59 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.893 0.378 . . . . 61.44 110.485 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -114.4 -25.33 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.516 . . . . 43.31 112.257 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.42 159.88 33.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 62.43 110.805 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.7 m -67.76 165.97 16.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 33.33 111.943 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.37 -43.65 92.85 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.529 -0.759 . . . . 74.13 111.992 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 16.9 mt-10 -70.25 -28.29 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.2 -0.6 . . . . 75.34 111.243 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -66.99 -48.29 68.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.325 -0.398 . . . . 73.42 110.227 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 100' ' ' ALA . 9.6 tt -71.38 -34.65 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.566 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -64.37 -44.2 92.13 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.142 -0.318 . . . . 62.43 110.142 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -61.5 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.505 -0.554 . . . . 54.21 109.505 177.238 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 55' ' ' PHE . 28.2 tp -52.82 -54.82 28.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.658 -0.701 . . . . 65.33 111.061 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 63.9 t30 -56.24 -40.16 73.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.471 -0.786 . . . . 52.23 110.489 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 m -63.34 -40.97 98.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.87 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -64.67 -49.1 72.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.95 0.405 . . . . 75.41 110.803 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.71 -40.41 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.619 . . . . 63.02 111.204 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HA ' HG21 ' A' ' 93' ' ' THR . 19.6 mtp180 -62.42 -44.24 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.254 -0.276 . . . . 64.31 110.254 175.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.72 -35.17 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 62.42 110.587 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.76 15.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 53.43 111.458 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -66.64 -34.06 77.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.63 -0.259 . . . . 71.42 111.37 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 83' ' ' ILE . 26.4 t70 -64.81 -37.33 87.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 65.41 109.841 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.666 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 27.9 t0 -71.03 -34.22 71.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.454 . . . . 73.24 110.304 177.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -66.41 -43.89 84.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 74.12 110.876 176.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -65.59 -28.66 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 71.52 110.797 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.666 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 40.0 m170 -54.12 -34.51 60.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.137 0.494 . . . . 63.21 110.019 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -94.04 -15.63 24.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.802 -0.635 . . . . 64.41 111.019 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 19.44 60.5 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.952 -0.859 . . . . 50.13 110.952 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -61.82 -37.85 85.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.496 . . . . 72.33 109.99 -178.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.52 162.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 74.04 110.789 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 ' HG3' ' A' ' 90' ' ' LYS . 7.8 tp -139.8 141.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.803 -0.814 . . . . 62.23 108.803 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.488 ' HG3' HG13 ' A' ' 89' ' ' ILE . 59.2 mttp 58.82 44.89 16.22 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.284 0.564 . . . . 71.34 109.79 -175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.0 148.68 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.074 -0.967 . . . . 73.13 111.862 -175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 18.5 Cg_endo -59.09 -25.73 79.01 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.401 2.734 . . . . 75.33 113.508 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 76' ' ' ARG . 23.3 p -79.46 6.16 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.473 . . . . 73.04 111.305 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.97 -44.44 94.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.761 . . . . 75.23 110.262 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -131.17 98.22 4.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 73.33 110.17 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.46 47.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 74.23 110.728 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.422 ' HG2' HE22 ' A' ' 53' ' ' GLN . 9.7 pt-20 -137.29 153.75 50.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 109.917 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -99.04 96.13 7.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 71.11 111.033 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -95.65 80.74 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.015 -0.539 . . . . 64.2 109.928 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 68' ' ' ILE . . . -108.04 108.99 20.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 72.21 110.718 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 121.28 0.562 . . . . 71.45 109.878 177.158 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.8 tt . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.599 0.238 . . . . 72.31 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 34.1 p -63.47 142.69 58.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.486 -0.324 . . . . 74.43 110.461 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.56 -43.13 97.62 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.099 0.249 . . . . 72.44 111.642 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -56.19 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.301 . . . . 35.5 111.213 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 34.7 t70 -63.37 -34.61 78.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.991 -0.549 . . . . 72.4 110.55 -177.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 2' ' ' ILE . 82.2 t80 -64.9 -44.42 89.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.952 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -58.7 -49.02 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 73.34 111.021 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.31 -38.31 74.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 60.23 110.198 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 5.3 tp-100 -59.63 -48.88 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.558 -0.534 . . . . 74.22 109.558 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.79 -43.82 81.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.188 -0.914 . . . . 72.1 110.846 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.506 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 29.3 t80 -60.66 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.554 . . . . 72.12 111.022 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.602 ' HG2' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.69 -45.15 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 72.32 110.55 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.01 -32.17 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.012 -0.54 . . . . 74.24 111.62 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 28.5 m-80 -108.39 -73.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.388 0.884 . . . . 70.23 113.388 -168.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 66.5 mmtt -83.72 -14.56 51.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.663 0.616 . . . . 72.14 112.663 -166.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 13' ' ' GLU . 23.9 tp -51.21 -53.29 50.45 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 112.782 0.66 . . . . 71.11 112.782 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 74.1 Cg_endo -76.35 7.49 3.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.155 1.903 . . . . 70.31 113.88 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.02 -45.89 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.939 0.399 . . . . 65.12 111.245 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.833 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.3 m -80.25 143.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 71.55 112.193 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 m -80.54 173.75 12.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 22.22 109.882 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.77 -28.94 66.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.861 0.362 . . . . 62.42 110.998 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -62.83 -46.71 86.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.148 -0.478 . . . . 22.54 110.815 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.833 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 50.1 m -75.01 -29.12 60.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 73.52 110.387 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 7.8 mtpm? -56.68 -45.43 81.76 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.773 -0.455 . . . . 72.51 109.773 173.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -55.75 -32.93 63.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.808 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -64.13 -54.02 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 72.3 110.315 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -65.23 -45.04 86.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 63.21 111.673 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 79.3 mm-40 -56.81 -52.84 63.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.118 0.261 . . . . 72.53 110.647 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -61.23 -40.6 94.61 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.275 -0.42 . . . . 60.14 110.598 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.46 -46.4 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.832 -0.622 . . . . 52.43 110.617 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -58.03 -39.73 79.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.595 . . . . 74.42 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 41.1 mtpt -65.25 -39.1 92.21 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.605 -0.27 . . . . 73.32 110.737 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 66.0 m-70 -72.22 -36.29 69.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.46 -0.496 . . . . 72.21 110.442 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 31' ' ' ALA . 69.5 mt -64.89 -50.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 61.32 110.774 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 21.9 pttp -64.39 -25.09 67.87 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.275 0.559 . . . . 62.31 110.599 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 24.7 t70 -65.68 -48.16 72.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.503 -0.771 . . . . 73.54 111.404 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -87.93 -43.32 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 61.33 111.433 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 57.6 m-85 -110.32 96.99 6.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.853 -0.612 . . . . 71.45 109.423 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 51.2 mtm180 -97.65 -63.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 55.11 110.503 -174.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -113.39 21.52 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.719 0.771 . . . . 74.44 109.429 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.846 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 18.8 ttmm -87.2 119.04 27.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.875 -1.057 . . . . 61.32 109.54 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 66.9 mt -69.81 170.52 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.749 -0.659 . . . . 73.44 111.381 -175.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -37.02 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 74.11 111.145 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -97.39 8.11 45.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 74.05 110.851 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 42' ' ' LYS . 9.8 t70 -95.42 0.81 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.694 -0.854 . . . . 64.13 108.694 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 42' ' ' LYS . 33.5 mm -82.1 106.58 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.809 -1.087 . . . . 53.45 110.029 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.786 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 3.7 mptp? -79.78 142.35 35.43 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.709 -0.849 . . . . 74.04 108.709 173.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -56.59 -32.02 64.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.869 0.366 . . . . 64.32 110.72 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -37.18 73.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.034 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.786 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 8.4 mm-40 -64.71 -41.74 95.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.466 0.65 . . . . 65.43 109.738 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.758 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 51.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 51.4 110.478 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.87 -43.15 98.79 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.263 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -60.07 -46.5 89.37 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.364 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.639 ' CE2' HD21 ' A' ' 71' ' ' LEU . 66.3 t80 -56.54 -43.45 79.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.488 -0.778 . . . . 74.21 110.864 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 90.5 mt -67.95 -44.43 76.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.12 -0.491 . . . . 73.24 111.075 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-20 -62.63 -38.37 89.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.488 -0.324 . . . . 72.13 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -68.63 -42.63 77.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 72.35 110.26 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -68.74 -32.81 72.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 63.03 110.225 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.45 6.67 60.16 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.899 -0.591 . . . . 51.52 112.641 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -91.3 -30.89 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 63.11 110.026 171.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -104.64 -22.09 13.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.76 -0.654 . . . . 74.44 111.825 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -126.21 157.21 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.322 -0.399 . . . . 74.44 110.236 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.7 t -84.86 -178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 70.13 110.468 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.02 -32.7 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.859 -0.61 . . . . 71.34 112.284 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 8.1 tt0 -71.65 -46.74 58.07 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.239 -0.584 . . . . 64.13 110.836 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -66.06 -39.48 90.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.534 0.207 . . . . 62.33 111.223 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -67.01 -33.48 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.631 -0.507 . . . . 71.42 109.631 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.8 -39.94 94.42 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.157 -0.474 . . . . 62.52 110.376 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -59.52 -50.0 75.61 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.975 -0.379 . . . . 74.4 109.975 174.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 55' ' ' PHE . 51.9 tp -54.5 -50.55 67.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 74.35 110.441 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' A' ' 98' ' ' LEU . 34.8 t30 -50.71 -46.91 59.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.265 -0.88 . . . . 62.44 110.989 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -59.33 -44.93 92.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 63.44 111.073 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.5 -44.34 87.33 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.044 0.449 . . . . 75.33 110.078 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.583 HD13 ' HE1' ' A' ' 52' ' ' TYR . 84.3 mt -63.87 -42.94 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 62.52 111.319 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.755 ' HG2' HG21 ' A' ' 93' ' ' THR . 60.9 mtt180 -64.88 -40.38 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.065 -0.254 . . . . 63.23 110.683 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.55 -35.51 81.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 72.33 110.243 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -48.17 68.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.077 -0.511 . . . . 75.33 111.208 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -65.24 -40.5 94.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.534 -0.303 . . . . 72.11 110.944 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.544 ' HA ' HG22 ' A' ' 83' ' ' ILE . 32.8 t70 -62.75 -34.84 78.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 62.21 110.884 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -45.71 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.278 0.561 . . . . 65.44 110.002 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.84 -47.34 69.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.516 -0.765 . . . . 75.5 111.564 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.544 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.6 tt -64.0 -32.27 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.624 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -61.53 -31.55 71.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 74.14 110.256 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.65 1.73 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 74.11 110.779 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.06 24.25 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.079 -0.582 . . . . 71.55 112.462 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.619 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 1.1 t80 -69.34 -55.45 10.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.515 -0.55 . . . . 72.14 109.515 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.71 150.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.758 -0.655 . . . . 62.21 109.446 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.752 HG12 ' HG3' ' A' ' 90' ' ' LYS . 7.2 tt -67.69 -60.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.532 0.206 . . . . 71.01 111.294 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.752 ' HG3' HG12 ' A' ' 89' ' ' ILE . 41.5 mtpt -141.27 168.49 19.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.364 -0.606 . . . . 74.21 109.364 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 75.1 m-20 -86.77 126.27 64.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.876 0.369 . . . . 73.41 111.568 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 14.5 Cg_exo -70.43 -4.56 14.73 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.353 2.702 . . . . 74.41 111.084 172.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.755 HG21 ' HG2' ' A' ' 76' ' ' ARG . 1.8 m -73.39 8.55 1.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.355 -0.839 . . . . 54.14 111.008 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.25 -36.82 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 73.11 110.631 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -96.51 25.38 5.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 65.24 110.473 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.758 ' HB2' ' HE2' ' A' ' 52' ' ' TYR . . . -84.96 74.83 10.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 75.4 111.065 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.37 -16.51 45.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.948 -0.569 . . . . 74.13 110.831 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 72' ' ' ASN . 83.9 mt 59.73 79.31 0.24 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.462 -0.79 . . . . 72.34 110.92 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.93 102.37 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.878 0.37 . . . . 75.02 110.535 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.14 84.86 7.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.498 -0.556 . . . . 61.34 109.498 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.56 ' HB2' HD23 ' A' ' 61' ' ' LEU . 19.6 m . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.492 -0.776 . . . . 53.15 111.84 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.42 HG22 ' OH ' ' A' ' 87' ' ' TYR . 20.7 tt . . . . . 0 C--O 1.243 0.73 0 CA-C-O 121.516 0.674 . . . . 55.41 111.239 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.563 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.0 p -81.77 161.31 23.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 73.25 110.224 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -62.61 -40.9 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.738 -0.21 . . . . 73.43 111.117 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' HE1' ' A' ' 32' ' ' TYR . . . -61.88 -48.68 79.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.987 0.422 . . . . 62.25 110.598 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.37 -38.48 87.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 61.04 110.364 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -64.65 -52.41 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 75.32 111.245 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.61 -46.13 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.164 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 52.6 t80 -67.06 -45.57 76.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.068 -0.515 . . . . 75.51 110.75 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.88 -47.71 85.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.414 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CZ2' ' HE3' ' A' ' 16' ' ' LYS . 56.7 t90 -54.47 -45.23 73.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 71.24 110.882 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.626 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 45.0 t80 -65.55 -50.46 65.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 73.33 111.081 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.3 -36.45 63.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 73.52 112.439 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.84 -31.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.589 -0.278 . . . . 74.41 111.711 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 46.7 m-80 -101.78 -77.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.713 0.634 . . . . 73.24 112.713 -170.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -79.43 -15.78 57.24 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.595 0.591 . . . . 61.53 112.595 -167.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.629 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.3 tp -49.51 -55.23 23.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.084 0.772 . . . . 63.13 113.084 -174.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 78.2 Cg_endo -81.17 10.39 3.44 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.936 1.757 . . . . 65.44 113.747 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -120.22 -39.73 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.817 -0.353 . . . . 72.32 111.581 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.4 m -83.83 157.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 72.02 111.491 -176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -87.12 169.41 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.629 -0.714 . . . . 55.11 110.293 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 36.5 mt-10 -64.31 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.058 -0.257 . . . . 71.34 111.367 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -42.66 97.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.948 -0.39 . . . . 61.43 109.948 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.509 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -72.06 -33.16 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 54.4 110.476 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 8.5 mtpm? -59.1 -36.2 74.73 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.021 -0.536 . . . . 73.12 110.482 177.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.5 mtt180 -58.48 -42.34 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.538 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -67.8 -48.72 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.753 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.57 -41.82 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 62.2 111.693 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.256 -0.178 . . . . 75.31 111.255 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 33.7 t -65.51 -43.46 90.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.179 -0.674 . . . . 71.34 109.179 174.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.31 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 64.25 110.126 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 54.7 t80 -64.75 -41.11 96.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.415 -0.812 . . . . 75.14 112.304 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 19.5 ptmt -63.95 -37.36 87.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.474 -0.49 . . . . 65.43 110.747 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -73.54 -36.24 65.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.697 0.284 . . . . 74.13 110.691 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.5 -46.78 95.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.368 -0.378 . . . . 50.22 110.405 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.94 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 74.41 110.759 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -41.03 35.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.512 . . . . 72.33 111.305 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -83.62 -43.66 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.11 111.448 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -114.99 86.13 2.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.363 0.601 . . . . 63.45 109.932 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -82.26 -40.01 22.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.553 -0.749 . . . . 64.33 111.019 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 22.75 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.299 0.571 . . . . 75.22 110.193 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.545 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 21.6 tptt -77.91 128.11 33.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.262 -0.881 . . . . 64.21 110.329 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 93.7 mt -68.53 161.14 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.207 -0.294 . . . . 74.55 110.207 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.12 -30.91 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.397 . . . . 64.25 110.533 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -84.72 -4.84 59.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 61.24 111.483 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 13.3 t70 -102.3 9.92 39.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.324 0.583 . . . . 75.13 110.256 -176.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 ' HG2' ' A' ' 42' ' ' LYS . 28.3 mm -93.72 96.04 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.887 -0.597 . . . . 63.04 109.473 175.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -79.56 150.49 31.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.07 -0.514 . . . . 71.34 110.299 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 4.5 ptp180 -62.98 -33.93 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 70.25 110.897 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 p -68.18 -44.43 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.067 -0.515 . . . . 74.35 110.68 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.7 -37.32 86.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.772 -0.649 . . . . 75.51 110.186 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 59.5 t80 -61.99 -37.39 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.411 -0.813 . . . . 65.51 111.358 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.14 -37.33 77.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.057 -0.257 . . . . 71.04 110.916 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.59 -36.43 80.86 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.782 0.325 . . . . 74.02 110.434 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 71' ' ' LEU . 65.3 t80 -62.27 -49.77 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 72.32 110.049 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' A' ' 68' ' ' ILE . 84.9 mt -61.3 -39.47 90.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 74.34 110.359 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.618 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -57.69 -57.12 14.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.84 . . . . 62.43 111.249 -177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.57 -39.47 93.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.16 0.505 . . . . 74.1 110.627 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HE1' ' HB ' ' A' ' 67' ' ' THR . 48.5 t80 -62.98 -47.32 83.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.524 -0.762 . . . . 74.42 110.565 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.88 78.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 116.136 -0.484 . . . . 63.55 112.913 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 83.4 mt -70.21 -13.11 62.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 72.43 111.387 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -120.39 6.66 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 53.33 111.519 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.407 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 74.8 m80 -144.11 -166.46 2.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.438 -0.346 . . . . 74.54 110.336 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.8 t -109.08 179.99 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.199 -0.297 . . . . 45.44 110.199 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 90.9 t80 -65.8 -40.26 91.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.456 -0.338 . . . . 71.23 111.164 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.43 -42.29 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.65 0.241 . . . . 73.42 111.65 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.479 ' HB ' ' HE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -60.25 -47.33 86.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.276 -0.42 . . . . 45.54 111.193 177.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 56' ' ' LEU . 15.4 tt -74.39 -34.6 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.709 -0.223 . . . . 72.11 111.216 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HD3' HH11 ' A' ' 69' ' ' ARG . 0.4 OUTLIER -65.54 -49.14 69.99 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.952 -0.388 . . . . 65.4 109.952 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.61 -45.91 88.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.69 -0.686 . . . . 60.44 110.479 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 55' ' ' PHE . 48.5 tp -52.84 -53.86 42.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.692 -0.685 . . . . 75.52 111.237 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.497 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 43.6 t30 -54.45 -42.36 70.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 71.54 110.948 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -46.73 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.952 -0.567 . . . . 64.34 111.157 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -63.38 -47.75 80.76 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.912 0.387 . . . . 75.14 110.657 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.76 -41.29 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.722 -0.672 . . . . 61.13 111.087 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 76' ' ' ARG . 23.5 ttp85 -62.29 -44.07 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.968 -0.382 . . . . 72.44 109.968 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.74 -38.54 88.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.622 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.17 68.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 73.12 110.995 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.5 -38.04 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 75.04 111.138 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.73 -37.27 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.16 -0.473 . . . . 61.33 110.275 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.61 -41.34 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.342 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.16 87.26 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.096 -0.502 . . . . 55.32 110.573 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.4 mt -64.49 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 71.32 110.256 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -62.22 -42.37 99.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.351 -0.841 . . . . 73.13 111.451 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 87' ' ' TYR . 6.7 pt-20 -79.12 -18.68 52.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.768 0.318 . . . . 70.42 110.887 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.33 12.03 55.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.859 -0.686 . . . . 62.44 112.455 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.445 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 19.4 t80 -69.03 -42.5 76.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.023 0.44 . . . . 71.43 110.678 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.68 133.19 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.259 -0.645 . . . . 54.12 109.259 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 tt -76.32 -35.35 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.104 0.409 . . . . 62.31 112.104 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -136.82 154.85 50.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.332 -0.247 . . . . 74.25 110.332 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -137.73 170.54 10.28 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.38 -0.373 . . . . 62.04 111.032 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 19.8 Cg_exo -68.47 -149.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.981 2.454 . . . . 63.4 111.343 168.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.3 p 54.06 17.45 1.41 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.186 0.594 . . . . 73.22 112.182 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.25 -54.43 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.019 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -132.25 19.59 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.26 0.553 . . . . 40.25 110.229 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.33 137.21 37.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 53.44 110.437 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.69 171.97 7.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 63.2 110.752 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 HG12 ' A' ' 68' ' ' ILE . 89.2 mt -123.96 36.41 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.05 111.641 -171.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.22 129.94 37.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.154 -0.618 . . . . 65.32 109.849 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.23 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.588 . . . . 74.21 110.098 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 64.34 111.034 -179.075 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.764 -0.458 . . . . 60.44 109.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -73.28 129.42 38.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.44 -0.346 . . . . 75.41 110.434 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.795 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 37.1 t80 -59.13 -43.38 91.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.51 . . . . 62.22 111.505 -174.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -57.1 -50.16 73.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 72.24 111.108 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.14 -37.2 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 71.13 110.861 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 64.0 t80 -61.39 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.376 -0.375 . . . . 72.15 110.379 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.03 -43.11 77.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.762 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -68.51 -47.0 68.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.223 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.9 pt20 -67.5 -33.63 75.48 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.683 -0.407 . . . . 62.41 110.123 -178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 65.1 t90 -58.39 -45.66 87.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.164 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 34.5 t80 -69.65 -49.69 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.957 -0.565 . . . . 75.14 111.136 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -56.38 -40.6 74.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 73.0 111.241 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' GLN . 46.9 t -83.01 -26.64 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 111.98 0.363 . . . . 72.54 111.98 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 20.8 m-20 -108.29 -72.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.399 0.888 . . . . 74.03 113.399 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 69.6 mmtt -82.13 -10.19 59.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.249 0.463 . . . . 71.31 112.249 -165.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.1 tp -49.77 -57.09 13.34 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.327 0.862 . . . . 70.15 113.327 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 86.5 Cg_endo -76.92 3.32 6.68 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.061 1.841 . . . . 73.41 113.8 -173.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.57 -8.62 13.32 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.841 -0.344 . . . . 71.42 111.184 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.4 m -117.06 165.71 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.978 0.418 . . . . 72.31 111.311 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -89.02 168.61 12.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 65.42 109.975 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 28.5 mt-10 -70.45 -23.45 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.931 0.396 . . . . 72.5 110.909 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.4 p -65.01 -38.34 90.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.406 -0.59 . . . . 74.52 109.406 171.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.484 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.2 m -69.6 -32.55 71.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.715 -0.675 . . . . 61.52 110.528 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.1 mttt -54.24 -46.12 72.5 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.661 -0.496 . . . . 71.3 109.661 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -56.15 -43.05 77.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 74.52 111.757 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' HD2' ' O ' ' A' ' 23' ' ' SER . 37.0 m-70 -56.69 -47.98 78.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.97 0.414 . . . . 63.04 110.767 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.75 -40.21 79.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.553 . . . . 63.1 111.346 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.4 -42.07 92.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.142 -0.223 . . . . 74.44 111.001 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.448 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 69.7 m -61.8 -45.51 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.207 -0.294 . . . . 60.22 110.207 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.94 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 71.1 110.555 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -54.65 -50.48 68.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 71.41 111.802 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 30' ' ' SER . 20.4 pttp -67.03 -31.8 72.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.188 -0.205 . . . . 60.52 111.233 -176.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -73.02 -38.85 66.42 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.683 0.278 . . . . 75.44 110.93 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.9 mt -62.76 -51.3 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 72.53 110.553 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 5' ' ' ALA . 19.9 ptmt -68.36 -26.97 65.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.771 0.32 . . . . 70.3 110.948 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.76 -45.95 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 72.32 110.854 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -86.5 -50.46 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 72.34 111.17 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 81.2 m-85 -89.67 59.99 4.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.302 0.572 . . . . 74.03 110.607 -176.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 23.8 mmt180 -55.84 111.45 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.093 -0.958 . . . . 74.12 111.209 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.25 27.43 15.18 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.508 0.505 . . . . 75.14 111.735 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 14.6 tptt -78.8 132.73 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.958 0.408 . . . . 53.4 110.749 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 91.1 mt -69.38 155.44 40.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.623 . . . . 71.34 110.365 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 5.3 tt -61.02 -40.9 95.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.229 0.538 . . . . 72.53 110.05 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.69 -1.29 57.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.62 -0.718 . . . . 61.34 111.726 -176.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.563 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 28.4 t70 -93.37 -7.13 45.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.399 0.619 . . . . 64.2 110.085 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' HG3' ' A' ' 92' ' ' PRO . 28.4 mm -67.76 127.74 29.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.848 -0.797 . . . . 71.15 108.848 174.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -113.24 152.48 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.913 -0.403 . . . . 74.12 109.913 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 49' ' ' ARG . 11.8 ptt180 -66.09 -37.88 86.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.27 . . . . 61.04 111.509 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.2 p -70.5 -29.7 66.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.091 0.472 . . . . 75.01 110.705 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.94 -38.44 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.798 -0.637 . . . . 70.03 109.959 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.27 -39.49 82.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.361 -0.836 . . . . 72.3 110.997 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -58.85 -40.81 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.518 -0.31 . . . . 74.54 110.542 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 50' ' ' THR . 96.9 mttt -55.51 -41.9 73.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.265 -0.425 . . . . 72.01 110.761 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 71' ' ' LEU . 79.1 t80 -63.43 -44.19 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 74.12 110.314 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 68' ' ' ILE . 96.8 mt -63.55 -41.71 98.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.22 111.084 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.596 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.7 m-20 -54.91 -52.84 61.66 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.648 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.34 -38.19 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 72.33 111.207 -175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -64.87 -38.76 92.04 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.891 0.377 . . . . 72.44 110.268 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 3.91 57.17 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.753 -0.658 . . . . 42.11 112.769 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' ' 101' ' ' SER . 98.5 mt -90.47 -11.51 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.34 110.715 176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -131.11 2.85 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.013 0.375 . . . . 72.24 112.013 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -137.98 166.93 22.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.627 0.251 . . . . 74.31 110.981 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -86.48 168.73 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.303 -0.408 . . . . 53.31 110.728 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' HE2' HH11 ' A' ' 69' ' ' ARG . 75.8 t80 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 72.14 112.067 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.15 -34.96 78.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 52.55 110.081 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -62.71 -46.31 88.72 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.614 -0.721 . . . . 55.44 110.556 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 65' ' ' TYR . 14.1 tt -70.21 -33.42 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.553 -0.294 . . . . 74.02 110.701 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.865 ' HG2' HD13 ' A' ' 98' ' ' LEU . 11.2 mtm180 -59.61 -51.09 71.3 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.907 0.384 . . . . 74.55 110.667 175.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -69.86 -33.87 72.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.926 -0.579 . . . . 65.33 111.004 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 55' ' ' PHE . 24.5 tp -52.91 -55.77 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.25 0.548 . . . . 75.22 109.717 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.2 -39.32 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.169 -0.923 . . . . 73.2 110.913 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.7 m -58.79 -44.91 90.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.106 -0.497 . . . . 53.13 111.717 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -65.83 -46.91 76.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.249 0.547 . . . . 72.12 109.72 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 80.3 mt -60.91 -45.31 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.212 -0.904 . . . . 70.12 111.109 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -65.07 -37.79 88.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.651 -0.25 . . . . 65.52 111.565 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.45 -38.89 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.466 -0.568 . . . . 72.14 109.466 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.12 83.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.109 -0.496 . . . . 55.01 110.993 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 91' ' ' ASN . 36.7 m-85 -63.98 -47.71 79.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.07 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.96 -38.66 89.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.118 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.46 -45.47 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.206 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -59.42 -48.67 80.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.842 -0.617 . . . . 74.44 110.233 175.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.75 -38.2 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 74.34 110.69 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -58.21 -39.38 78.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.262 -0.881 . . . . 55.21 111.788 -173.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -92.61 -36.64 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.698 -0.401 . . . . 75.23 110.624 176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.64 20.97 2.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.953 -0.641 . . . . 71.23 112.045 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 40.8 t80 -72.44 -28.62 63.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.543 . . . . 61.31 110.137 -178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.25 154.98 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 64.11 109.26 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.484 HG23 ' HG2' ' A' ' 90' ' ' LYS . 7.5 tp -75.99 -42.18 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.891 0.33 . . . . 74.14 111.891 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HG2' HG23 ' A' ' 89' ' ' ILE . 17.4 pttm -161.39 -177.17 5.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.854 0.359 . . . . 73.23 111.201 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 18.8 p30 -117.73 147.44 41.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 54.24 111.384 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 47' ' ' ILE . 76.4 Cg_endo -87.71 14.78 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 123.125 2.55 . . . . 74.52 112.677 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.1 p -85.54 26.56 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 70.25 111.447 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -63.7 -42.52 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 73.22 110.195 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -116.82 108.08 15.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 74.02 109.871 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.11 79.41 1.67 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 42.01 109.811 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -85.73 107.9 17.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.299 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 69' ' ' ARG . 59.2 mt -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.512 -0.767 . . . . 74.04 110.846 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -118.82 109.14 15.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.848 -0.614 . . . . 71.04 110.407 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.49 97.64 11.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.008 -0.542 . . . . 62.1 109.901 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' ' 61' ' ' LEU . 32.0 t . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 121.464 0.65 . . . . 75.51 109.917 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 7' ' ' TYR . 16.5 tt . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.217 0.532 . . . . 75.01 111.461 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 1.3 p -67.32 149.23 50.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 55.02 111.093 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.795 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -55.04 39.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.987 0.422 . . . . 62.11 110.62 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -42.95 90.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.572 -0.74 . . . . 73.32 110.513 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.506 ' HB2' HG23 ' A' ' 2' ' ' ILE . 88.7 t80 -59.58 -46.98 87.32 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.037 -0.529 . . . . 75.11 110.972 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.61 -46.02 81.14 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.448 0.468 . . . . 72.25 110.81 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.77 -47.65 74.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 73.32 110.754 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -61.23 -46.79 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 54.33 110.317 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -55.71 -48.43 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 74.21 110.775 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.473 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.0 t80 -61.89 -54.71 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 73.15 111.307 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.752 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 28.0 tt0 -63.78 -28.76 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.414 -0.357 . . . . 71.34 111.759 -171.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.53 -28.32 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.173 -0.329 . . . . 71.41 111.707 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -111.54 -43.7 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.493 0.923 . . . . 73.41 113.493 -170.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 5.4 mptp? -108.56 -14.73 14.58 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.416 0.524 . . . . 75.45 112.416 -171.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.752 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 12.8 tp -48.33 -57.58 10.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.232 0.827 . . . . 71.2 113.232 -173.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 8.7 Cg_endo -86.21 17.51 1.74 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.514 2.143 . . . . 75.11 112.956 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.08 -0.47 9.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 73.14 110.717 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.726 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.5 m -127.33 152.36 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.398 . . . . 73.13 111.04 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -87.77 176.96 7.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 73.45 111.054 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.16 -31.37 68.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.639 -0.709 . . . . 74.22 111.756 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 p -62.84 -50.0 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.406 . . . . 64.53 110.411 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.726 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -70.3 -31.46 68.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 74.41 110.702 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 50.7 mttm -56.98 -51.54 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 65.24 110.542 175.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.96 -28.43 68.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.092 -0.504 . . . . 71.55 111.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' THR . 20.1 m-70 -56.44 -51.25 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.07 0.462 . . . . 71.03 109.92 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.12 -40.84 95.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.797 -0.638 . . . . 52.23 111.255 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.7 -37.59 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 61.2 111.099 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.4 m -67.48 -41.58 84.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.437 . . . . 65.01 110.177 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.06 77.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.957 -0.565 . . . . 61.34 110.503 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -58.3 -42.0 85.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.578 . . . . 73.0 111.673 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -69.73 -31.78 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.447 -0.501 . . . . 65.4 111.174 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -77.48 -34.29 54.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.035 0.445 . . . . 65.21 110.674 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.05 -50.2 71.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.118 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -62.25 -28.09 69.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 73.44 110.822 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.53 -45.52 75.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 71.41 111.415 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -86.59 -44.77 11.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 64.02 111.118 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -113.14 97.63 6.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.157 -0.474 . . . . 54.14 109.73 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -91.3 -48.52 6.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.713 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -130.88 31.5 4.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 72.43 111.212 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -87.91 127.26 35.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.005 -0.543 . . . . 63.43 109.793 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 85.2 mt -63.43 157.32 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 70.25 110.578 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -54.93 -41.76 71.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.131 0.491 . . . . 71.33 110.721 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -87.66 -3.9 58.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 62.31 111.573 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.2 t70 -92.31 -13.54 30.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.032 0.444 . . . . 61.43 110.016 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.5 107.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.803 -0.635 . . . . 73.13 110.472 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.56 136.7 39.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.978 -0.555 . . . . 74.34 109.726 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.08 -28.38 70.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 74.24 111.187 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -66.72 -45.22 79.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.396 -0.365 . . . . 73.41 110.396 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.76 -31.03 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 61.31 110.562 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 75' ' ' ILE . 63.7 t80 -60.11 -37.89 81.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 75.23 110.016 174.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.96 -37.58 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 72.55 110.579 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.936 0.398 . . . . 75.54 110.143 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.2 t80 -57.75 -44.52 86.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.332 -0.849 . . . . 74.21 110.403 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.22 -43.09 78.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 71.34 111.253 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -60.35 -49.52 77.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.511 -0.313 . . . . 70.3 110.692 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.01 -44.63 84.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 71.44 110.173 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.63 -37.55 87.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 74.25 110.488 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.74 -1.05 82.91 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.052 -0.522 . . . . 75.12 112.931 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.9 mt -90.19 -16.92 28.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 73.04 110.165 174.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.2 p -119.99 2.53 10.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 55.33 111.93 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -139.89 160.83 39.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 65.12 111.38 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 t -80.53 169.5 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 71.11 110.231 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.1 0.408 . . . . 63.22 112.1 -173.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.42 -34.35 72.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.387 -0.525 . . . . 71.2 111.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -64.59 -44.85 89.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.496 -0.32 . . . . 74.02 110.478 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 14.7 tt -71.55 -33.18 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.679 0.276 . . . . 62.11 110.298 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -56.48 -49.9 73.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.365 -0.379 . . . . 75.21 110.514 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.79 -50.09 69.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.908 0.385 . . . . 63.21 110.597 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.9 tp -52.91 -51.63 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.506 -0.77 . . . . 71.11 110.865 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.07 -38.26 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.932 -0.576 . . . . 73.42 110.913 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -59.77 -45.98 90.58 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.268 -0.423 . . . . 64.42 110.704 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -63.99 -45.9 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 73.43 110.346 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 52' ' ' TYR . 64.3 mt -63.84 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 74.01 110.878 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -56.69 -50.31 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.193 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.7 -37.13 86.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.518 -0.764 . . . . 65.24 111.206 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.95 61.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 71.14 111.281 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.458 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 31.2 m-85 -65.1 -41.64 94.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 74.31 111.215 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.552 ' O ' HG22 ' A' ' 83' ' ' ILE . 36.1 t70 -62.44 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 75.42 110.852 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.65 -42.21 87.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 54.23 110.083 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.39 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 65.33 111.362 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 80' ' ' ASP . 11.8 tt -68.79 -29.4 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.772 -0.195 . . . . 54.11 110.588 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -54.96 -31.92 61.07 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.397 . . . . 74.22 110.407 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -95.49 -11.32 27.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.31 110.668 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 12.77 82.43 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.058 -0.817 . . . . 63.43 111.058 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.95 -27.57 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 64.11 110.697 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.09 159.5 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.882 -0.599 . . . . 61.02 109.605 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.53 -164.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.764 0.316 . . . . 74.22 110.86 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -53.98 124.14 14.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.354 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 93.3 m-20 -50.29 126.7 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.222 -0.899 . . . . 61.01 112.452 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 32.4 Cg_exo -60.42 -9.1 10.02 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.657 2.904 . . . . 72.43 112.928 178.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.9 p -72.68 5.22 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.169 0.509 . . . . 61.44 110.457 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.417 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 56.9 t80 -51.38 -35.67 39.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.051 -0.977 . . . . 74.13 110.574 172.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG2' ' HD2' ' A' ' 94' ' ' TYR . 74.3 mmtt -122.89 87.88 2.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.897 -0.592 . . . . 74.15 109.714 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.99 86.98 2.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.35 0.595 . . . . 71.43 111.284 -177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.68 110.65 23.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.846 -0.616 . . . . 53.42 110.475 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 80.6 mt -86.16 74.14 10.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.63 . . . . 60.05 110.12 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -98.54 82.36 2.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.971 -0.559 . . . . 64.33 110.451 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 98.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 31.11 109.276 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 61' ' ' LEU . 5.1 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 61.12 111.22 -170.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 3' ' ' THR . 12.4 tt . . . . . 0 N--CA 1.45 -0.474 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 2' ' ' ILE . 6.4 p -76.38 143.07 40.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.519 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 29.0 t80 -60.7 -45.76 92.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.444 -0.344 . . . . 70.03 111.808 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.49 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.029 0.443 . . . . 70.13 110.699 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -41.67 97.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 72.31 110.859 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.38 -46.91 88.2 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.623 -0.262 . . . . 73.41 110.796 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -59.77 -44.22 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.386 . . . . 75.14 110.349 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.2 -47.02 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 74.4 110.582 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.8 tt0 -60.43 -48.73 80.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.161 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.6 t90 -54.04 -52.33 61.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 71.31 110.456 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.5 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 14.6 t80 -60.13 -47.09 87.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.222 -0.445 . . . . 74.2 111.408 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.633 ' HG3' HD22 ' A' ' 17' ' ' LEU . 32.7 tt0 -63.3 -20.94 65.93 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.25 -174.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 42.0 t -97.54 -33.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 70.42 111.053 176.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.3 t-20 -92.66 -53.39 4.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.742 0.645 . . . . 74.1 112.742 -164.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 20' ' ' VAL . 74.2 mmtt -114.12 -9.78 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.671 -0.412 . . . . 65.11 112.028 -169.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 28.1 tp -54.24 -55.26 38.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.871 0.693 . . . . 75.15 112.871 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.8 Cg_endo -85.57 17.89 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.113 1.875 . . . . 71.2 112.971 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.1 m-70 -123.71 -46.21 2.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 73.25 111.424 -175.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 24.5 m -79.73 161.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.488 -0.324 . . . . 44.13 111.067 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 41.9 m -82.67 170.04 15.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 25.41 110.25 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 pm0 -61.03 -27.02 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.35 111.832 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 p -63.33 -51.34 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.734 0.302 . . . . 75.44 110.465 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 19.2 m -66.94 -31.35 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 52.23 110.343 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 97.3 mttt -59.16 -41.82 89.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.654 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -74.01 -28.8 61.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 72.42 111.204 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -60.85 -47.37 86.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.063 -0.347 . . . . 64.55 110.063 172.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 35.6 m-85 -61.39 -40.16 93.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.083 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -59.87 -46.05 90.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 75.05 110.713 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 45.0 m -62.47 -44.99 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.936 -0.575 . . . . 74.13 110.384 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -49.68 76.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.094 -0.503 . . . . 54.54 110.731 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.26 -39.8 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 74.41 111.895 -177.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 30' ' ' SER . 14.1 ptmm? -66.69 -34.93 78.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.54 -0.464 . . . . 71.24 110.577 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.19 -38.46 72.1 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.909 0.385 . . . . 75.42 110.028 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.63 -44.72 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 72.53 110.484 176.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.8 ttmm -59.41 -32.43 70.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.606 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.77 -48.31 15.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 73.43 111.92 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.89 -35.0 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.664 0.268 . . . . 71.23 110.943 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 75.4 m-85 -123.46 75.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 62.03 110.737 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 15.6 mtp180 -76.75 95.91 4.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.372 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 m170 65.16 31.25 11.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.507 -0.77 . . . . 74.35 111.133 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 43.2 tptt -78.68 132.16 36.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.328 -0.851 . . . . 61.12 109.155 173.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 96.8 mt -61.7 138.46 58.32 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.6 pt? -60.57 -31.46 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.17 0.509 . . . . 65.33 111.21 -174.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -90.59 3.42 54.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.987 -0.551 . . . . 74.12 110.952 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 19.8 t70 -102.52 -2.14 29.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.318 0.58 . . . . 73.0 109.631 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 HG13 ' CE1' ' A' ' 39' ' ' PHE . 1.8 mp -69.5 115.65 8.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.708 -0.678 . . . . 74.32 109.2 172.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -72.76 149.72 43.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.615 . . . . 55.13 109.674 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' ' 92' ' ' PRO . 1.2 mpp_? -58.38 -36.15 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.348 0.594 . . . . 72.13 109.746 177.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 6.7 p -70.88 -39.12 73.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.395 -0.821 . . . . 73.43 111.298 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -62.46 -41.92 99.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.503 0.192 . . . . 75.11 111.336 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.3 t80 -64.79 -41.4 95.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.373 -0.376 . . . . 73.4 109.997 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -64.38 -43.61 93.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.34 109.787 177.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' THR . 67.7 mttm -60.31 -42.46 95.6 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.828 0.346 . . . . 62.35 110.94 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 71' ' ' LEU . 87.6 t80 -58.33 -41.12 83.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 64.21 110.37 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' ILE . 95.0 mt -66.95 -37.73 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 62.44 110.642 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 9.3 m120 -60.59 -51.37 69.68 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.879 -0.415 . . . . 74.25 109.879 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.412 -0.813 . . . . 60.1 111.212 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -70.85 -35.96 72.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.542 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.53 -1.58 77.07 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.998 -0.546 . . . . 74.4 112.734 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 101' ' ' SER . 96.0 mt -90.69 -16.33 28.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 73.23 110.422 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 p -122.61 -9.42 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.514 0.561 . . . . 73.13 112.514 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -135.76 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 72.2 112.066 -173.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -80.6 168.36 18.98 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.352 -0.84 . . . . 61.0 110.768 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.94 -45.94 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.21 111.524 -174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -63.0 -33.47 75.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.38 -0.528 . . . . 73.25 110.205 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -66.18 -49.21 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.975 -0.557 . . . . 54.53 110.659 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.9 tt -67.47 -34.74 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.96 0.41 . . . . 71.42 110.454 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.08 -42.01 99.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.066 0.46 . . . . 75.44 110.426 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -71.37 -38.16 71.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 71.32 110.095 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.5 tp -56.7 -51.67 67.89 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.987 -0.552 . . . . 61.4 110.721 173.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.423 HD21 ' NH2' ' A' ' 76' ' ' ARG . 32.7 t30 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.447 -0.797 . . . . 75.32 110.358 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -61.38 -47.98 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 52.14 110.704 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -53.41 -54.21 40.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.082 0.468 . . . . 45.22 111.04 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.435 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.6 mt -65.57 -36.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 73.52 110.952 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.423 ' NH2' HD21 ' A' ' 72' ' ' ASN . 13.1 ttm180 -66.18 -37.53 85.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 64.25 110.604 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -66.19 -42.05 89.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.437 -0.347 . . . . 74.42 110.302 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.95 89.99 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.115 -0.493 . . . . 41.45 110.878 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.43 ' HB3' ' CG ' ' A' ' 91' ' ' ASN . 25.2 m-85 -71.0 -30.62 66.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 64.02 111.731 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 t70 -60.37 -40.1 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.626 -0.509 . . . . 72.33 109.626 174.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 3.0 m-20 -69.93 -41.07 75.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.499 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.42 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 54.31 111.185 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.43 -32.5 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.091 0.472 . . . . 71.25 110.391 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 51.7 t-80 -64.64 -29.3 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.263 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 36.6 mm-40 -99.08 -3.35 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 65.14 110.713 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.76 27.83 52.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.911 -0.661 . . . . 65.43 112.386 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.845 -0.428 . . . . 74.4 109.845 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.673 HG22 ' HB3' ' A' ' 45' ' ' LYS . 52.4 t -108.07 130.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.986 -0.552 . . . . 63.51 109.92 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.598 HG12 ' HG2' ' A' ' 90' ' ' LYS . 8.2 tt -67.94 -50.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.516 -178.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.598 ' HG2' HG12 ' A' ' 89' ' ' ILE . 31.9 mmmt -129.18 109.78 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.731 -0.47 . . . . 44.14 109.731 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 97.2 m-20 -58.13 136.74 84.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 52.31 111.939 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 12.9 Cg_exo -72.14 12.15 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.711 2.941 . . . . 75.42 112.988 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -80.31 -12.31 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.356 0.598 . . . . 63.43 110.714 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -70.78 141.5 51.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.49 -0.777 . . . . 72.22 109.992 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm 74.62 -6.61 1.88 Allowed 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.506 0.504 . . . . 54.32 111.531 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.3 136.46 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.882 0.372 . . . . 61.4 110.713 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 45.2 mt-10 -136.07 156.8 48.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.343 -0.389 . . . . 73.03 110.892 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.38 144.83 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 73.14 109.951 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -157.53 90.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 74.44 110.596 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.71 99.28 10.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.364 -0.606 . . . . 62.21 109.364 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.6 ' HB3' HD23 ' A' ' 61' ' ' LEU . 18.1 t . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 121.183 0.516 . . . . 75.14 111.039 -172.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.427 HG22 ' HE2' ' A' ' 87' ' ' TYR . 11.2 tp . . . . . 0 C--O 1.235 0.32 0 CA-C-O 121.259 0.552 . . . . 72.12 111.201 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.5 p -82.37 141.52 32.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 64.51 110.071 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.36 -46.42 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.315 0.385 . . . . 73.42 111.983 -174.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.55 -55.26 36.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.038 0.447 . . . . 65.12 111.225 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.25 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 74.21 111.114 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -65.84 -46.24 79.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 74.12 110.392 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.28 -45.59 87.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.868 -0.605 . . . . 72.42 110.455 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.73 -47.38 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.899 -0.591 . . . . 73.33 110.732 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -47.38 84.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.273 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.1 t90 -55.03 -39.29 68.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.601 . . . . 72.55 110.918 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.579 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 20.2 t80 -73.63 -53.48 10.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.307 -0.406 . . . . 75.34 111.27 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 17' ' ' LEU . 40.8 tt0 -61.24 -38.1 85.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.951 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -83.82 -18.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.838 0.351 . . . . 65.21 111.475 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 85.8 m-20 -116.31 -68.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.763 0.653 . . . . 63.21 112.763 -173.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 70.6 mmtt -86.2 -17.99 33.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.33 0.493 . . . . 73.55 112.33 -165.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' HG3' ' A' ' 13' ' ' GLU . 26.3 tp -55.61 -55.04 44.79 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 112.998 0.74 . . . . 73.12 112.998 -174.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.3 Cg_endo -64.8 -6.1 11.84 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.651 2.234 . . . . 75.22 114.367 -173.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -103.67 -13.25 16.57 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.013 -0.275 . . . . 62.04 111.434 -174.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 21.3 m -119.62 179.13 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 73.03 111.553 -174.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -120.9 -177.42 3.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 74.41 109.827 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 78.8 mm-40 -49.44 -36.44 22.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 72.12 112.14 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -57.08 -43.94 82.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 64.52 111.418 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 27.8 m -80.68 -31.35 36.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 73.03 110.493 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 22' ' ' GLU . 10.4 mtpm? -56.94 -41.41 78.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.071 -0.513 . . . . 70.45 110.706 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 49.3 mtt180 -54.3 -45.9 72.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.374 -0.376 . . . . 71.32 110.823 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.29 -49.33 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 60.21 110.929 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -61.69 -46.84 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.469 -0.332 . . . . 71.4 111.746 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.72 -48.35 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 63.02 111.72 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 p -68.23 -31.25 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.89 -0.324 . . . . 61.42 110.995 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.46 -50.57 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 73.14 109.995 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -58.05 -35.91 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.58 -0.736 . . . . 65.21 110.741 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -66.21 -43.61 86.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.396 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.01 -37.1 86.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.845 0.355 . . . . 64.34 110.707 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.3 mt -62.51 -50.77 78.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.52 110.291 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.1 -28.22 69.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 71.55 110.582 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.08 -41.39 77.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.92 -0.582 . . . . 64.43 111.176 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -87.53 -39.83 14.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 73.41 111.455 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 61.5 m-85 -122.74 92.29 3.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 70.12 109.577 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -76.22 -52.63 9.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.169 0.509 . . . . 73.52 110.815 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.27 23.34 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.424 0.631 . . . . 75.42 110.054 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 13.9 tptp -67.82 126.06 28.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.094 -0.957 . . . . 70.31 109.512 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 82.3 mt -62.94 146.6 52.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 63.4 110.763 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -53.5 -43.77 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.552 0.532 . . . . 75.34 111.458 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -79.28 -4.42 50.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 65.12 111.722 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.7 t70 -100.76 -7.56 23.6 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.104 -0.238 . . . . 65.03 111.133 -172.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.26 110.81 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.309 0.576 . . . . 74.22 109.542 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.668 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 55.1 mtpt -83.0 145.58 29.25 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.763 -0.653 . . . . 65.44 109.949 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.705 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 22.6 mtt180 -61.9 -30.76 71.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 70.11 110.695 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -28.49 65.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 62.13 110.795 177.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.668 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 41.1 mt-10 -76.05 -46.04 31.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.04 0.447 . . . . 72.34 109.897 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 75' ' ' ILE . 28.9 t80 -60.99 -35.48 76.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.445 -0.798 . . . . 72.51 110.763 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -53.32 55.17 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.575 -0.528 . . . . 64.34 109.575 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.92 -40.85 90.27 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.356 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.1 t80 -55.15 -45.4 75.65 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.044 -0.526 . . . . 62.43 111.47 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.42 -33.3 67.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 64.13 111.314 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -59.28 -51.34 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 73.22 110.558 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.19 -31.6 71.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 73.41 110.848 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -73.69 -35.35 65.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 75.01 109.916 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.66 -2.81 90.13 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.856 -0.611 . . . . 75.41 112.638 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 101' ' ' SER . 92.1 mt -90.55 -17.27 27.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.23 110.409 174.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 p -118.27 -32.76 4.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 51.52 112.346 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.29 154.59 24.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.932 0.396 . . . . 65.42 111.455 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 m -64.8 163.72 13.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.716 -0.675 . . . . 71.25 111.199 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -60.43 -44.34 95.88 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.425 -0.352 . . . . 54.31 111.544 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.34 -30.32 71.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.894 0.378 . . . . 53.22 110.325 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -70.53 -46.72 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 53.44 110.672 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.06 -33.92 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.817 0.341 . . . . 72.23 110.423 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -58.83 -50.07 75.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 62.12 111.158 177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.78 -35.58 78.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.67 -0.412 . . . . 62.32 110.1 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.766 HD13 ' HB1' ' A' ' 31' ' ' ALA . 47.6 tp -59.24 -49.46 77.77 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.576 -0.284 . . . . 73.15 110.348 176.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' A' ' 98' ' ' LEU . 24.4 t30 -51.72 -44.61 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 71.42 110.338 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -44.41 97.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 61.12 110.674 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -62.07 -44.61 96.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.285 -0.265 . . . . 74.1 110.285 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.5 mm -58.8 -48.49 86.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.357 178.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 93' ' ' THR . 77.2 mtp180 -59.13 -49.2 78.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 62.21 110.82 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.14 -40.43 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.279 . . . . 40.12 111.582 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.71 86.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.311 . . . . 70.43 111.063 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 83' ' ' ILE . 32.9 m-85 -71.19 -37.96 72.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.528 -0.305 . . . . 74.33 111.19 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.89 -35.43 80.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 72.33 110.377 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -48.89 79.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 73.23 109.321 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.07 82.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.358 -0.837 . . . . 74.1 111.005 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 79' ' ' PHE . 18.7 mm -59.56 -47.38 91.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 71.14 110.653 175.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.76 -38.65 91.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.66 -0.7 . . . . 74.52 110.976 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -78.9 -15.49 58.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.831 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.41 26.72 46.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.124 -0.56 . . . . 31.53 111.779 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.427 ' HE2' HG22 ' A' ' 2' ' ' ILE . 28.5 t80 -92.26 -28.25 17.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.79 0.329 . . . . 72.32 111.388 -174.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.3 151.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.741 -0.466 . . . . 62.05 109.741 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.8 tt -74.07 -49.61 32.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.527 0.566 . . . . 63.12 112.527 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -153.15 154.94 35.77 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.693 0.282 . . . . 63.44 111.317 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -74.08 135.43 76.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 73.21 110.109 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.705 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 Cg_endo -76.7 0.44 9.58 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 25.3 111.857 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.604 HG21 ' HG2' ' A' ' 76' ' ' ARG . 13.5 p -73.4 86.8 1.52 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.446 0.641 . . . . 72.43 110.316 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 49' ' ' ARG . 78.8 t80 -117.83 -65.31 1.19 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.128 -0.942 . . . . 74.55 109.403 -177.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 15.4 ptpt -112.08 34.47 4.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.179 -0.919 . . . . 74.23 109.447 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.84 79.99 8.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.258 -0.883 . . . . 71.21 110.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.16 134.03 44.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.763 -0.653 . . . . 65.42 110.372 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.6 mt -85.03 114.72 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 65.03 110.706 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -142.65 104.0 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.142 -0.481 . . . . 63.34 109.993 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.45 119.95 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.851 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.646 ' HB2' HD23 ' A' ' 61' ' ' LEU . 53.6 m . . . . . 0 C--N 1.322 -0.6 0 CA-C-O 121.302 0.572 . . . . 53.51 110.321 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.0 tt . . . . . 0 C--O 1.235 0.325 0 N-CA-C 109.416 -0.587 . . . . 75.33 109.416 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -66.31 133.99 51.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.547 0.213 . . . . 74.32 110.608 176.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.636 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 30.5 t80 -61.89 -36.44 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 71.33 111.431 -175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 71.34 110.584 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.21 -38.81 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 61.31 110.639 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' HG23 ' A' ' 2' ' ' ILE . 89.1 t80 -59.85 -48.08 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 73.41 110.97 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.22 -49.01 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.03 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.55 -42.45 87.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 61.33 110.978 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.28 -46.45 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.293 . . . . 74.2 110.253 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -54.72 -46.38 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 73.1 110.179 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 6.2 t80 -60.03 -49.17 78.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 74.24 111.276 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.766 ' HG3' HD22 ' A' ' 17' ' ' LEU . 31.6 tt0 -70.13 -10.28 58.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.098 0.475 . . . . 74.51 111.243 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.14 -26.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.381 . . . . 52.53 111.589 176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -110.95 -33.3 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.55 0.945 . . . . 74.13 113.55 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.9 mmtt -117.23 -22.78 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.229 0.455 . . . . 71.1 112.229 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.772 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 18.3 tp -47.94 -59.22 6.13 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.485 0.92 . . . . 54.42 113.485 -169.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 13.4 Cg_endo -91.0 19.51 1.11 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.371 2.047 . . . . 63.21 112.802 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 94.1 m-70 -121.62 -50.51 2.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 74.32 111.436 -174.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 16' ' ' LYS . 21.9 m -81.2 164.46 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 72.15 111.036 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -72.79 160.15 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.507 -0.315 . . . . 51.0 110.526 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 42.3 mt-10 -69.96 -23.39 63.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 54.45 110.286 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -61.83 -43.23 99.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.986 -0.746 . . . . 75.2 108.986 171.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 28' ' ' TYR . 63.3 m -66.33 -36.95 84.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.541 -0.754 . . . . 74.12 110.511 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 98.7 mttt -55.87 -37.01 68.23 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.67 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.82 -33.69 76.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 64.15 110.686 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -68.87 -36.97 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.45 110.116 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HE2' HG22 ' A' ' 24' ' ' THR . 62.3 m-85 -65.78 -38.21 88.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.45 110.73 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.34 -50.97 71.26 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.145 -0.317 . . . . 74.12 110.145 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 t -61.0 -44.47 97.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 74.22 110.602 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.87 -56.13 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.87 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.05 -42.65 90.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.599 -0.728 . . . . 71.24 112.011 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -69.6 -34.11 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.792 -0.363 . . . . 73.04 111.335 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -75.75 -35.86 60.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 63.13 110.481 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.1 mt -62.38 -51.09 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 72.22 110.635 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.2 ptmt -69.1 -26.99 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 44.15 110.711 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.23 -47.74 84.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.03 -0.532 . . . . 74.12 110.909 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -84.84 -51.19 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.285 -0.416 . . . . 72.14 111.25 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m-85 -92.55 52.07 1.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.423 . . . . 74.23 111.196 -174.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 36' ' ' LYS . 13.6 mtm180 -60.9 108.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.887 -0.597 . . . . 72.41 111.189 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.29 25.22 14.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.424 -0.807 . . . . 73.35 111.643 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 2.0 tpmt? -84.42 127.96 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.191 -0.459 . . . . 72.25 109.975 176.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.37 153.45 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.31 111.387 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 tp -53.97 -45.12 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.502 -0.772 . . . . 73.43 112.155 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -82.78 -7.86 59.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.563 -0.29 . . . . 74.22 111.587 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.51 6.33 45.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.144 0.497 . . . . 72.3 110.549 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.65 HD13 ' HG2' ' A' ' 42' ' ' LYS . 47.1 mm -68.71 114.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.992 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.55 126.43 30.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 64.04 109.436 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -63.19 -31.69 72.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 70.04 111.036 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -70.63 -40.41 73.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 54.35 110.586 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 65.03 109.933 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 75' ' ' ILE . 53.7 t80 -64.63 -43.51 93.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 71.41 110.962 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.32 -46.39 80.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.994 0.426 . . . . 64.32 110.078 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -56.96 -40.17 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 55.2 110.7 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.5 t80 -55.24 -48.25 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 75.51 110.631 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.36 -44.32 88.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 53.15 110.602 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.841 ' HA ' ' HB3' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -57.9 -42.55 84.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 51.3 111.24 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -71.65 -42.76 67.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.492 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.99 -39.91 83.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 74.15 111.028 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 99' ' ' HIS . . . -81.56 4.73 71.99 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.058 -0.592 . . . . 61.34 113.079 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.0 mt -91.14 -8.53 48.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 73.11 110.393 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 p -135.85 5.57 3.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.012 -0.54 . . . . 70.13 111.644 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -138.98 156.25 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.655 0.264 . . . . 71.31 111.035 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -69.45 157.63 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.808 -0.633 . . . . 73.25 110.577 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' HG22 ' A' ' 68' ' ' ILE . 89.8 t80 -59.79 -38.51 82.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 61.13 111.013 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.47 -35.66 81.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.115 0.483 . . . . 72.23 110.27 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 m -70.73 -45.11 65.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.729 -0.669 . . . . 72.41 110.95 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 65' ' ' TYR . 7.1 tt -69.35 -34.89 64.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.842 0.353 . . . . 74.32 110.813 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.46 -44.64 90.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.037 0.446 . . . . 75.3 110.028 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.7 ttmt -61.75 -45.01 95.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.458 -0.792 . . . . 70.44 109.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.455 HD21 ' CE2' ' A' ' 55' ' ' PHE . 23.4 tp -53.87 -56.16 20.17 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.583 -0.735 . . . . 73.11 111.298 172.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.98 -44.73 60.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.029 -0.532 . . . . 71.15 111.335 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.1 m -59.48 -41.28 89.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 74.31 111.037 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 21.2 m-85 -62.89 -54.42 38.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 54.25 110.882 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.636 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 46.4 mt -63.78 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.85 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.51 -43.52 93.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.473 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.437 HD22 ' HA ' ' A' ' 77' ' ' ASN . 3.7 m120 -67.94 -33.97 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 63.12 111.222 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.41 71.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 64.05 111.027 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 23.0 m-85 -67.82 -37.53 82.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.439 -0.346 . . . . 70.44 110.943 177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.95 -38.25 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 65.45 110.557 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.53 -40.64 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.86 0.362 . . . . 73.12 110.29 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 72.34 111.274 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 90' ' ' LYS . 12.0 tt -73.12 -32.79 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.871 0.367 . . . . 71.24 110.568 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -63.9 -30.01 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.357 0.599 . . . . 70.21 110.131 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.7 -24.57 38.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 75.12 110.213 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.5 26.18 57.42 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.418 -1.073 . . . . 62.14 110.418 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -99.23 0.1 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.864 -0.668 . . . . 55.41 110.899 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG22 ' H ' ' A' ' 89' ' ' ILE . 5.6 p -156.12 -179.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.934 -0.395 . . . . 52.22 109.934 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.695 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.3 pt -71.96 -168.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.285 . . . . 61.15 111.051 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 83' ' ' ILE . 19.6 pttp -83.13 39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.011 0.434 . . . . 73.42 111.867 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 84.8 m-20 70.1 131.2 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 115.074 -0.966 . . . . 74.31 113.39 173.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 5.8 Cg_exo -79.81 -4.68 13.55 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.604 2.869 . . . . 71.04 110.943 170.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.471 HG23 ' HE2' ' A' ' 52' ' ' TYR . 1.9 m -79.13 34.65 0.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.391 -0.822 . . . . 63.1 110.531 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.44 -62.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.07 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -108.95 42.89 1.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.565 0.697 . . . . 74.31 110.62 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.44 97.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 60.55 110.973 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.11 149.28 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.093 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.9 mt -88.28 102.0 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 74.4 110.369 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.841 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . 54.4 t-80 -101.99 96.42 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.674 . . . . 74.43 110.451 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -120.98 108.13 13.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.391 -178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.657 -178.362 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 C--O 1.242 0.7 0 CA-C-O 121.754 0.788 . . . . 73.35 112.07 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -73.05 145.92 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.845 -1.071 . . . . 75.15 110.54 174.045 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -65.49 -38.32 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.817 0.303 . . . . 63.14 111.817 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.35 -56.1 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 62.45 110.743 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.08 -39.84 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 74.43 110.67 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 71.9 t80 -60.68 -45.1 95.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.622 . . . . 71.41 111.193 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.29 -47.37 86.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 72.0 111.478 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' HE1' ' HG2' ' A' ' 29' ' ' GLU . 50.6 t80 -67.92 -42.36 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.521 -0.472 . . . . 71.42 110.949 -176.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 4.8 pp0? -69.47 -35.18 75.36 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.523 -0.471 . . . . 73.22 109.918 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.54 -43.07 84.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.282 0.563 . . . . 74.41 109.734 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 32.9 t80 -67.96 -56.48 8.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.365 -0.834 . . . . 70.1 110.611 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.72 ' HG2' HD22 ' A' ' 17' ' ' LEU . 2.6 tm-20 -56.89 -41.92 78.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.064 -0.516 . . . . 73.42 111.844 -174.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.94 -33.71 56.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 72.02 111.891 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -106.79 -65.68 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.457 -0.497 . . . . 70.44 111.71 -172.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -96.16 94.69 7.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.731 -0.47 . . . . 71.4 109.731 -177.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 13' ' ' GLU . 16.0 tp -150.0 -59.67 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.406 -0.517 . . . . 54.11 111.575 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 52.7 Cg_endo -70.29 -17.42 35.16 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.681 1.588 . . . . 75.13 112.169 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -91.85 -9.17 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 74.03 110.603 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.36 171.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.101 -0.499 . . . . 63.31 110.427 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -111.76 171.17 7.65 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.892 -0.41 . . . . 52.54 109.892 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 45.2 mt-10 -62.35 -23.24 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.26 0.467 . . . . 60.1 112.26 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t -60.09 -39.9 87.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 64.55 109.704 172.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 m -75.64 -38.42 58.89 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.087 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' HA ' ' A' ' 22' ' ' GLU . 25.2 mtpt -56.3 -36.82 69.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.266 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.5 tpt180 -56.29 -37.44 69.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.323 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.79 -47.02 56.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 74.24 110.722 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -64.36 -42.74 96.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 74.51 110.846 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.733 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.69 -40.48 84.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.565 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.4 t -51.39 -48.38 62.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.586 -0.524 . . . . 72.14 109.586 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -57.41 -51.43 69.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.48 -0.782 . . . . 74.01 110.34 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.66 -44.01 80.92 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.9 -0.591 . . . . 73.3 112.401 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 24.5 mmmt -61.42 -45.12 95.67 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.882 -0.414 . . . . 64.41 109.882 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.49 -32.08 65.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.855 -0.611 . . . . 65.14 110.627 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -64.32 -48.59 84.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 109.854 -0.424 . . . . 42.42 109.854 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 36' ' ' LYS . 23.1 ttpp -62.72 -28.38 69.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 73.05 110.736 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.09 -46.71 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 71.43 111.455 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -86.77 -27.01 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 72.04 111.169 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 59.4 m-85 -126.74 83.04 2.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 74.25 110.224 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -65.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.934 -0.765 . . . . 75.43 108.934 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.447 ' HA ' HG21 ' A' ' 3' ' ' THR . 28.7 m-70 -121.05 82.43 1.92 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.284 -0.871 . . . . 74.02 110.266 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.899 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 14.1 ttmm -139.27 107.72 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.414 -1.266 . . . . 51.23 108.494 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -56.44 151.73 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.498 -0.774 . . . . 74.31 110.353 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.631 ' HG ' HG11 ' A' ' 88' ' ' VAL . 2.7 pt? -71.21 -6.06 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.169 -0.612 . . . . 63.01 111.113 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -93.75 -8.62 40.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 75.02 110.243 173.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.93 -32.2 13.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.388 -0.597 . . . . 75.33 109.388 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.8 mt -70.78 134.96 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.045 -0.98 . . . . 72.44 110.24 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.882 ' HG2' ' HG2' ' A' ' 51' ' ' GLU . 13.8 ptpt -139.58 -174.47 3.9 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.469 -0.787 . . . . 73.53 109.02 -177.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 11.6 ptt180 -58.01 -37.09 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.953 0.353 . . . . 71.53 111.953 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 70.4 p -71.3 -36.61 71.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 60.53 110.7 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.882 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 15.0 mm-40 -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.378 0.608 . . . . 73.43 109.98 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 10.0 t80 -69.67 -39.29 77.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.167 -0.924 . . . . 65.21 110.204 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.56 -39.21 79.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.709 -0.678 . . . . 75.31 110.916 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 50' ' ' THR . 63.2 mttm -56.18 -51.87 66.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.305 0.574 . . . . 75.4 110.194 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 61.8 t80 -62.23 -44.55 96.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.929 -1.032 . . . . 63.54 111.014 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.83 -44.67 96.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.369 -0.378 . . . . 73.42 111.252 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.0 m-20 -60.63 -50.62 72.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 73.43 111.567 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.15 -30.4 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 72.3 111.368 -176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.92 -38.93 44.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 72.35 110.77 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 100' ' ' ALA . . . -70.03 -26.37 74.39 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.096 -0.502 . . . . 53.34 112.952 -177.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 89.8 mt -78.51 -7.76 57.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.607 -0.349 . . . . 70.52 111.324 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 p -124.15 4.2 8.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.915 0.339 . . . . 74.13 111.915 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -143.52 165.15 28.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.709 0.29 . . . . 74.15 111.168 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -71.28 159.61 34.29 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.251 -0.432 . . . . 73.22 110.939 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.29 -41.38 84.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.994 -0.548 . . . . 74.33 111.522 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.459 ' HG3' HH21 ' A' ' 69' ' ' ARG . 39.9 tt0 -71.3 -31.42 67.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.099 -0.64 . . . . 62.43 110.554 -177.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 4.2 m -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.04 0.448 . . . . 71.12 110.328 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 13.4 tt -73.84 -33.18 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.492 . . . . 70.35 110.673 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 HH21 ' HG3' ' A' ' 66' ' ' GLU . 51.6 ttp85 -62.6 -45.81 91.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.735 0.303 . . . . 71.34 111.143 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -69.94 -33.89 72.73 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.963 -0.384 . . . . 74.03 109.963 179.39 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 55' ' ' PHE . 18.1 tp -56.37 -49.34 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 74.53 110.618 172.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.8 t30 -55.25 -40.63 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.453 -0.794 . . . . 63.14 110.921 178.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -64.71 -38.68 91.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 70.23 110.907 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -67.06 -48.99 66.58 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.84 0.352 . . . . 73.22 110.747 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' HE1' ' A' ' 52' ' ' TYR . 64.3 mt -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 70.25 111.084 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HA ' HG21 ' A' ' 93' ' ' THR . 93.7 mtt180 -63.88 -40.69 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.281 . . . . 75.24 110.711 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -40.61 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.331 . . . . 61.13 110.432 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.12 94.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 72.24 111.588 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -74.27 -31.47 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 74.24 111.363 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.07 -39.26 94.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.84 -0.43 . . . . 73.05 109.84 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 7.1 m-20 -62.93 -47.56 82.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.495 -0.32 . . . . 70.4 110.247 172.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -55.63 -49.23 73.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 51.42 111.449 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 13.4 tt -70.14 -32.46 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 65.4 110.772 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -72.68 -25.87 61.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.956 -0.565 . . . . 61.43 110.404 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 10.8 mm-40 -94.49 0.54 55.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 71.55 111.384 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.72 27.16 73.63 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.524 -0.846 . . . . 73.21 111.186 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.13 -52.93 7.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.955 -0.758 . . . . 73.32 108.955 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.631 HG11 ' HG ' ' A' ' 44' ' ' LEU . 31.0 m -140.84 163.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.158 -0.928 . . . . 75.43 108.85 173.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.7 tt -125.55 70.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.084 0.945 . . . . 74.45 110.527 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -147.75 147.87 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.275 -0.875 . . . . 64.25 111.035 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.52 85.91 48.58 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.742 -0.663 . . . . 64.43 109.889 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 71.7 Cg_endo -75.29 -1.81 11.76 Favored 'Trans proline' 0 CA--C 1.52 -0.191 0 C-N-CA 123.004 2.47 . . . . 72.3 111.78 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HA ' ' A' ' 76' ' ' ARG . 9.9 p -84.95 7.49 20.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.269 -0.878 . . . . 72.25 111.509 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.499 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 63.9 t80 -85.31 159.46 20.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.864 -0.791 . . . . 71.11 108.864 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HG2' ' HD2' ' A' ' 49' ' ' ARG . 32.6 mmmt 68.22 18.87 9.21 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.677 0.391 . . . . 75.3 110.138 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.82 131.2 50.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.515 -0.766 . . . . 71.14 111.232 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.31 106.35 4.74 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.656 -0.702 . . . . 75.25 109.665 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 69.3 mt -79.57 72.1 6.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.632 0.729 . . . . 61.52 109.354 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.62 61.63 3.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.821 -1.082 . . . . 73.52 110.521 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.11 88.85 7.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.79 -0.641 . . . . 72.25 110.758 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 121.566 0.698 . . . . 74.44 109.227 176.322 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 43' ' ' LEU . 38.7 ttm . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.741 -0.466 . . . . 71.05 109.741 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.9 tt -86.86 147.06 5.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.2 0.524 . . . . 63.41 111.399 -173.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.622 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 49.5 p -77.38 161.34 28.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.797 -0.638 . . . . 71.12 110.833 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -61.61 -40.6 95.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.621 -0.263 . . . . 73.03 110.871 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.1 -56.55 19.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.036 0.446 . . . . 64.03 111.319 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.99 -34.24 77.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.518 -176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.05 -43.03 93.64 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.273 -0.421 . . . . 75.3 110.6 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -56.73 -45.87 81.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 73.45 110.457 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -67.76 -43.08 80.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 71.22 110.557 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -63.29 -51.01 67.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 73.44 110.491 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.4 t90 -52.92 -44.79 67.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.66 -0.7 . . . . 74.11 110.628 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.548 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 21.5 t80 -62.17 -57.95 9.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.72 -0.673 . . . . 60.32 111.032 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 27.8 tt0 -59.81 -34.75 73.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 70.33 111.686 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -81.41 -31.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 111.924 0.342 . . . . 62.53 111.924 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -111.17 -58.05 2.16 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.452 0.538 . . . . 54.15 112.452 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 73.6 mmtt -86.83 -24.81 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.772 0.286 . . . . 71.11 111.772 -170.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 19.8 tp -50.9 -53.79 43.92 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.917 0.71 . . . . 74.32 112.917 -173.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.5 Cg_endo -64.81 -10.2 24.11 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 122.122 1.881 . . . . 71.11 113.656 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -104.35 -11.86 16.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.886 0.375 . . . . 61.13 110.941 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 24' ' ' THR . 33.8 m -116.64 -178.99 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.065 0.46 . . . . 61.21 111.579 -174.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.1 m -120.59 177.89 4.89 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.997 -0.547 . . . . 64.31 110.278 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.61 -30.22 71.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.878 0.37 . . . . 72.03 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -60.56 -33.39 72.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.241 0.543 . . . . 71.25 109.75 174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.454 ' CB ' ' HB ' ' A' ' 20' ' ' VAL . 1.6 m -80.48 -33.82 36.29 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.436 -0.802 . . . . 73.03 110.246 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -56.85 -47.52 80.2 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.968 -0.56 . . . . 75.21 111.216 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -62.66 -29.34 70.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.527 -0.306 . . . . 71.2 111.187 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -65.84 -52.21 52.37 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.89 0.376 . . . . 74.13 110.166 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' HE1' HG22 ' A' ' 24' ' ' THR . 46.3 m-85 -63.04 -44.91 94.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.934 -0.575 . . . . 74.23 111.245 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.6 -35.86 79.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.493 -0.321 . . . . 73.44 111.687 -176.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -66.57 -40.04 88.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.195 0.521 . . . . 41.24 109.913 175.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.756 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -62.98 -46.4 87.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.705 -0.679 . . . . 74.41 109.89 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 18.2 t80 -56.03 -38.34 70.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.216 -0.902 . . . . 71.13 111.305 177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 95.5 mttt -61.73 -43.17 99.37 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 120.791 0.329 . . . . 75.14 111.288 178.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 -71.63 -34.08 69.5 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.227 -0.589 . . . . 74.1 110.32 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -65.19 -51.02 70.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.863 -0.608 . . . . 60.24 110.702 177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 19.7 ptmt -65.88 -26.9 67.84 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-O 120.748 0.308 . . . . 65.3 110.895 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.87 -49.28 78.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.118 -0.492 . . . . 75.35 111.056 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -87.16 -49.27 7.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.023 -0.535 . . . . 73.01 111.248 -177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 44.5 m-85 -101.3 77.37 1.79 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.073 -0.512 . . . . 43.24 110.091 -174.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 86.0 mtt180 -82.73 -67.29 0.8 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.625 -0.716 . . . . 74.43 111.0 -174.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -102.09 18.31 21.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.827 0.822 . . . . 52.3 109.091 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.668 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 51.8 tptt -80.43 114.35 19.27 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 114.455 -1.248 . . . . 71.11 110.137 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 92.6 mt -67.6 151.0 48.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.186 -0.461 . . . . 73.01 110.832 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.55 -35.1 69.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.821 -0.627 . . . . 64.1 111.952 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -92.66 8.86 37.31 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.405 0.52 . . . . 65.35 112.405 -171.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -112.23 -1.23 15.25 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.831 -0.348 . . . . 63.45 111.422 -175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.465 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 17.8 mm -64.89 119.77 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.705 0.288 . . . . 75.03 111.066 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.69 149.76 22.63 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.681 -0.488 . . . . 64.23 109.681 173.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -70.21 -23.16 62.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.563 -0.289 . . . . 74.33 111.261 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 17.2 p -69.57 -44.66 70.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.514 -0.312 . . . . 63.13 111.105 -179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' LYS . 16.0 pt-20 -74.88 -30.58 61.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 64.12 110.293 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.59 ' HE1' HG21 ' A' ' 75' ' ' ILE . 78.7 t80 -61.28 -39.89 92.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.289 0.566 . . . . 71.14 109.737 175.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -43.57 98.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.333 -0.849 . . . . 73.31 109.444 176.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 50' ' ' THR . 66.1 mmtt -65.99 -33.61 76.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.968 -0.56 . . . . 32.45 110.637 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.6 t80 -61.5 -44.69 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.608 -0.724 . . . . 51.22 110.536 176.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.31 -39.46 78.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 61.4 111.412 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -59.15 -42.57 91.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 71.13 110.858 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -71.51 -38.16 71.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.954 -0.567 . . . . 74.12 110.385 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.07 -35.07 77.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.27 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -73.44 -5.51 67.77 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.741 -0.663 . . . . 54.55 112.766 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD23 ' HB2' ' A' ' 101' ' ' SER . 83.5 mt -90.28 -21.04 22.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.962 0.41 . . . . 64.2 110.573 175.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.2 p -110.63 -16.49 13.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 65.13 112.209 -173.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.426 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.8 m80 -136.14 162.65 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.149 -0.344 . . . . 74.05 111.23 -174.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.8 m -78.56 174.86 10.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.902 -0.59 . . . . 73.35 111.302 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.425 ' HA ' HG22 ' A' ' 68' ' ' ILE . 67.3 t80 -61.32 -45.39 94.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.244 -178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 30.1 tt0 -60.12 -34.42 73.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.929 0.395 . . . . 75.12 110.347 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 1.5 m -72.13 -44.43 63.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.826 -0.625 . . . . 73.21 111.123 -178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.2 tt -73.57 -34.48 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 73.35 110.85 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 64.3 ttt-85 -62.99 -48.81 77.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 62.14 110.88 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 17.7 ptpt -66.11 -35.77 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.731 -0.387 . . . . 75.34 110.261 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 ' HB1' ' A' ' 31' ' ' ALA . 24.2 tp -54.98 -48.92 72.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.922 0.392 . . . . 62.41 110.298 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.5 t30 -56.59 -47.26 79.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.59 -0.732 . . . . 74.34 111.012 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.2 p -64.05 -31.91 73.28 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.997 -0.281 . . . . 43.32 111.531 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -67.35 -49.97 61.85 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.629 -0.508 . . . . 74.4 109.629 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.59 HG21 ' HE1' ' A' ' 52' ' ' TYR . 73.9 mt -62.37 -43.64 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.604 -0.726 . . . . 74.42 110.67 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -57.53 -45.22 85.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.524 . . . . 73.44 110.847 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -70.72 -31.58 68.47 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.698 -0.228 . . . . 63.12 111.282 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.64 -45.72 92.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.877 0.37 . . . . 62.23 110.48 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.465 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 62.7 m-85 -72.91 -35.0 66.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.868 176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 83' ' ' ILE . 25.5 t70 -63.55 -39.65 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.07 0.462 . . . . 72.23 110.541 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 16.0 t70 -68.54 -49.52 58.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 74.13 109.944 177.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.41 86.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.858 -0.61 . . . . 71.22 111.724 -178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -71.76 -32.12 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.14 0.495 . . . . 60.43 109.84 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.74 -36.3 83.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.619 -0.719 . . . . 74.24 109.909 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.2 mm-40 -86.83 -7.68 58.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.452 -0.795 . . . . 73.3 110.567 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.82 29.04 36.17 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.839 -0.619 . . . . 54.41 112.154 176.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -103.07 -48.97 3.88 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.602 0.239 . . . . 73.4 111.284 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 45' ' ' LYS . 3.7 p -99.99 155.62 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.683 -0.407 . . . . 54.34 110.113 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 tt -131.1 -27.26 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.329 -0.396 . . . . 63.33 111.151 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm -101.83 114.82 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.721 0.296 . . . . 74.33 110.938 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -105.38 107.65 59.6 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 109.202 -0.666 . . . . 73.34 109.202 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -81.18 13.68 2.32 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.002 2.468 . . . . 75.43 113.238 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.6 p -75.45 2.35 11.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.482 0.549 . . . . 73.23 112.482 -174.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -60.01 -41.36 91.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.077 0.465 . . . . 72.44 110.525 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 95' ' ' LYS . 27.3 mmtp -106.97 41.97 1.38 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.043 -0.526 . . . . 44.23 110.774 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.89 63.66 3.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.819 -0.628 . . . . 71.23 110.615 176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.959 ' HB3' ' HD2' ' A' ' 99' ' ' HIS . 34.8 mt-10 -75.57 112.31 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.566 -0.743 . . . . 71.23 111.242 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.3 mt -80.89 65.62 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.847 -0.615 . . . . 71.12 110.744 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.959 ' HD2' ' HB3' ' A' ' 97' ' ' GLU . 42.4 m-70 -93.67 85.9 5.0 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.013 -0.54 . . . . 74.4 111.29 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.44 92.2 0.8 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.602 -0.888 . . . . 31.41 108.602 171.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.692 ' HA ' ' HB2' ' A' ' 104' ' ' GLU . 19.9 m -70.7 -10.85 60.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.795 -0.639 . . . . 62.45 111.23 -171.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 60' ' ' GLY . 24.7 t -60.69 -33.87 56.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.553 -0.536 . . . . 71.11 109.553 171.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.2 mt -130.52 33.85 4.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.508 -0.769 . . . . 65.2 110.647 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.692 ' HB2' ' HA ' ' A' ' 101' ' ' SER . 9.8 tp10 -62.8 95.29 0.07 Allowed 'General case' 0 C--O 1.236 0.361 0 N-CA-C 108.896 -0.779 . . . . 73.12 108.896 175.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -87.73 118.11 27.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.287 0.565 . . . . 63.04 111.758 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.459 ' HD2' ' HG3' ' A' ' 104' ' ' GLU . 79.9 m-70 -134.57 -165.64 1.69 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.081 -1.081 . . . . 53.03 108.081 173.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -113.49 94.29 4.79 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.84 0.828 . . . . 73.33 110.664 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -97.75 71.08 2.22 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.258 -0.883 . . . . 62.44 109.488 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -131.32 142.39 50.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.071 -0.513 . . . . 74.35 110.539 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.6 p80 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.631 -0.699 . . . . 72.42 110.027 178.718 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.607 ' HG3' HD22 ' A' ' 43' ' ' LEU . 2.8 tpt . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.767 -0.457 . . . . 73.12 109.767 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.15 141.37 14.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.552 0.691 . . . . 75.03 111.37 -176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.15 153.44 26.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.107 -0.951 . . . . 62.33 110.57 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.524 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 28.7 t80 -59.33 -42.14 90.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.747 -0.206 . . . . 73.22 111.44 -176.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.61 69.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.076 0.465 . . . . 75.44 110.706 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.06 -37.5 87.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.669 -0.696 . . . . 70.14 110.98 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -67.14 -46.23 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 74.12 110.921 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -58.08 -48.35 80.43 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.327 0.392 . . . . 70.31 110.742 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -67.5 -42.92 82.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 73.14 110.544 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 26.0 tt0 -63.45 -47.78 80.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 63.45 110.109 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.4 t90 -55.61 -46.61 77.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.669 -0.696 . . . . 74.21 110.158 177.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.48 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 16.8 t80 -60.33 -48.51 81.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 73.44 111.36 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.832 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.0 tt0 -66.6 -24.56 66.35 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.855 0.36 . . . . 63.13 111.527 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLN . 59.0 t -89.25 -26.54 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.109 0.481 . . . . 75.33 110.764 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.939 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -101.73 -55.22 2.56 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.744 0.646 . . . . 44.34 112.744 -167.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 3.2 mptp? -109.73 -12.59 14.61 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.751 0.648 . . . . 73.51 112.751 -170.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.832 HD22 ' HG3' ' A' ' 13' ' ' GLU . 28.0 tp -46.88 -57.04 9.88 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 113.113 0.783 . . . . 52.3 113.113 -171.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 96.7 Cg_endo -79.05 -0.94 11.18 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 121.621 1.547 . . . . 55.34 113.187 -176.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -108.51 -27.78 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.767 0.284 . . . . 61.23 111.767 -174.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.767 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.3 m -96.88 142.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.402 0.62 . . . . 74.45 111.482 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.506 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 17.7 m -80.95 173.97 12.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.43 -0.804 . . . . 54.41 110.258 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.8 pm0 -56.45 -36.71 69.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.304 -0.407 . . . . 73.44 111.166 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -56.04 -41.95 75.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 75.41 111.141 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.767 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -79.53 -30.68 41.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.136 -0.484 . . . . 72.03 110.621 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 21' ' ' SER . 7.9 mtpm? -60.65 -38.81 86.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.309 177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 8.5 mmt-85 -58.83 -38.14 77.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.026 -0.534 . . . . 70.14 110.7 178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -60.53 -54.81 40.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 75.4 110.931 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -64.33 -43.23 95.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.852 -0.613 . . . . 73.55 112.023 -176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -70.85 -30.34 66.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.597 0.237 . . . . 63.31 111.603 -176.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.4 m -74.45 -37.65 63.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.178 0.513 . . . . 72.2 109.986 174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.51 -44.52 96.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 65.1 110.085 175.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -57.3 -45.92 83.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.46 -0.791 . . . . 75.33 111.943 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -67.05 -34.28 77.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.622 -0.431 . . . . 62.25 111.159 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -70.33 -33.5 71.57 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.909 0.385 . . . . 54.04 110.722 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.3 mt -67.0 -46.74 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 72.12 110.511 176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.47 -36.65 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.12 0.486 . . . . 64.52 110.498 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -61.43 -50.46 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.206 -0.906 . . . . 70.24 111.682 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -87.31 -56.48 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.44 0.533 . . . . 73.25 112.44 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 77.4 m-85 -84.73 59.51 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.337 0.589 . . . . 70.51 111.299 -173.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -65.49 114.8 5.12 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.558 -0.746 . . . . 72.43 110.221 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.4 m170 65.08 21.44 12.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.034 -0.53 . . . . 73.3 111.12 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 9.6 tptp -80.2 118.82 22.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.035 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' A' ' 1' ' ' MET . 66.6 mt -71.4 149.81 45.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.876 -0.602 . . . . 73.01 110.005 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.06 -30.74 71.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.153 0.501 . . . . 73.34 111.047 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' HE2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -91.72 4.91 51.68 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.932 -0.576 . . . . 74.51 111.193 -179.379 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -130.34 76.36 1.72 Allowed 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.539 -0.3 . . . . 54.52 110.442 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 37.1 mt -142.14 128.23 18.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.173 0.511 . . . . 63.33 110.039 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.717 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 88.5 mttt -89.53 154.33 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.508 -0.769 . . . . 62.25 110.449 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.56 HH21 ' HG2' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -57.69 -37.98 74.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.625 -0.716 . . . . 72.5 111.127 176.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.97 -28.93 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.517 -0.31 . . . . 73.44 111.418 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 48.4 mt-10 -72.24 -35.74 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.184 0.516 . . . . 74.22 109.614 179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 31.5 t80 -72.05 -41.14 67.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.707 -0.678 . . . . 75.12 109.776 175.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.755 ' HB2' ' HB3' ' A' ' 95' ' ' LYS . 25.9 tm0? -56.05 -46.58 78.86 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.682 -0.69 . . . . 74.35 109.373 173.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -56.16 -53.43 57.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.272 -0.876 . . . . 65.44 110.502 176.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE2' HD21 ' A' ' 71' ' ' LEU . 83.5 t80 -54.1 -47.19 72.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.528 -0.76 . . . . 63.5 111.455 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 96' ' ' ALA . 76.5 mt -64.91 -39.19 93.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.422 -0.354 . . . . 74.53 111.379 -178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -61.9 -46.98 87.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.102 -0.239 . . . . 71.3 110.947 179.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 6.2 mm-40 -64.29 -37.36 87.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.331 0.586 . . . . 65.44 109.968 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.94 -41.39 78.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.654 -0.703 . . . . 75.01 110.902 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -75.39 -4.77 75.38 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.019 -0.537 . . . . 75.33 112.795 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -82.56 -12.82 57.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.781 0.324 . . . . 73.51 110.923 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.1 t -141.41 18.22 2.22 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.074 0.464 . . . . 74.52 111.107 -176.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -144.79 158.65 43.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.869 0.366 . . . . 75.1 111.226 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 m -77.23 162.1 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.771 -0.65 . . . . 70.44 111.008 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -60.02 -42.3 94.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.092 -0.504 . . . . 71.53 111.696 -177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -67.5 -31.12 71.03 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.328 -0.549 . . . . 71.52 111.405 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.6 m -68.29 -44.03 76.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.875 0.369 . . . . 72.3 110.201 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.53 HD11 ' HB3' ' A' ' 56' ' ' LEU . 13.5 tt -72.33 -33.36 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.281 -0.418 . . . . 55.11 110.203 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -57.33 -46.22 83.49 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.41 -0.359 . . . . 71.22 110.345 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -39.95 81.18 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.122 -0.49 . . . . 64.52 110.814 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.594 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.2 tp -53.23 -51.26 62.75 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.248 -0.433 . . . . 64.11 110.52 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 26.1 t30 -51.85 -53.51 39.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.427 -0.806 . . . . 74.13 111.438 177.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -59.03 -32.24 69.55 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.398 0.518 . . . . 62.33 112.398 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -69.63 -54.32 14.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.032 0.444 . . . . 74.15 110.093 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.524 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.2 mt -63.72 -41.51 92.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.649 -0.705 . . . . 73.43 110.797 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -59.77 -43.87 94.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.974 -0.557 . . . . 70.41 110.425 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 77' ' ' ASN . 2.0 t-20 -66.0 -35.3 80.19 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.713 0.292 . . . . 73.55 110.534 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.92 -49.98 72.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.076 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -69.13 -34.07 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.828 0.347 . . . . 71.21 110.933 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' HA ' HG22 ' A' ' 83' ' ' ILE . 12.9 t70 -65.42 -39.11 91.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.984 -0.553 . . . . 60.42 110.374 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.4 t70 -64.02 -47.81 78.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.029 0.442 . . . . 73.14 109.859 174.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.71 -45.75 81.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.623 -0.717 . . . . 70.35 111.686 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.436 HG22 ' HA ' ' A' ' 80' ' ' ASP . 9.4 tt -70.76 -33.06 51.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.919 -0.312 . . . . 71.43 111.147 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -64.97 -27.58 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.389 . . . . 74.11 110.366 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 55.9 mm-40 -90.88 -6.43 54.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.888 -0.597 . . . . 71.43 110.796 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.67 26.77 70.69 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 111.422 -0.671 . . . . 73.22 111.422 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -84.6 -32.97 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.157 -0.522 . . . . 74.13 110.268 -175.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.84 164.97 14.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.18 -0.464 . . . . 74.04 110.216 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.3 pt -101.5 -32.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.838 0.681 . . . . 74.41 112.838 -173.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -137.13 173.32 11.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.983 0.42 . . . . 65.44 111.768 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -112.7 113.84 50.04 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.374 -0.83 . . . . 74.04 111.115 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 47' ' ' ILE . 96.6 Cg_endo -82.86 8.35 4.65 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.598 2.199 . . . . 73.32 111.016 172.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.4 p -79.28 -0.01 30.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.443 -0.799 . . . . 70.42 111.911 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 36.3 t80 -86.35 155.96 20.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.683 -0.858 . . . . 71.4 108.683 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . 28.4 mmtt 71.46 21.25 4.59 Favored 'General case' 0 CA--C 1.519 -0.219 0 O-C-N 123.639 0.587 . . . . 71.2 109.521 -172.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 56' ' ' LEU . . . -78.07 47.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.436 -0.802 . . . . 55.24 110.12 176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.02 106.81 3.35 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.435 -0.802 . . . . 72.14 109.836 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.434 HD22 HG12 ' A' ' 68' ' ' ILE . 59.0 mt -75.45 82.39 2.52 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.584 -0.734 . . . . 61.54 110.225 -177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -103.13 102.05 12.03 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.36 -0.837 . . . . 74.32 110.143 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.33 107.91 19.14 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.874 -0.603 . . . . 54.22 109.844 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -72.97 -7.72 52.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.163 0.506 . . . . 72.13 110.342 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.8 t -79.62 68.78 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.638 -0.71 . . . . 72.54 110.067 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -126.51 101.46 6.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.235 -0.893 . . . . 74.21 109.223 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -66.56 109.48 2.8 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.32 0.581 . . . . 73.0 110.733 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -127.44 114.91 18.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.818 -0.628 . . . . 75.4 110.253 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -90.93 85.33 5.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.653 -0.703 . . . . 65.13 109.602 178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -105.33 93.97 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.143 -0.48 . . . . 75.22 110.432 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -63.82 127.41 31.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 74.41 110.049 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -95.4 145.65 24.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.166 -0.47 . . . . 73.4 109.916 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--O 1.243 0.757 0 CA-C-O 119.385 -0.341 . . . . 72.02 110.624 176.684 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' HD3' ' A' ' 45' ' ' LYS . 26.3 mmt . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.835 0.35 . . . . 73.33 110.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.4 tt -148.6 159.31 6.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.055 -0.52 . . . . 63.43 109.808 -176.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -70.65 146.61 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.869 -0.419 . . . . 74.54 109.869 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 22.5 t80 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.526 0.203 . . . . 73.54 111.235 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.24 74.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.817 0.342 . . . . 65.34 111.292 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' OD2' HD11 ' A' ' 2' ' ' ILE . 29.6 t70 -71.98 -36.18 69.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.416 -0.356 . . . . 70.43 110.441 -178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HB2' HG23 ' A' ' 2' ' ' ILE . 81.9 t80 -64.41 -44.2 92.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.781 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.94 -46.28 89.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.725 0.298 . . . . 74.44 110.519 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -66.25 -46.29 77.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 63.53 110.355 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.2 tt0 -59.58 -46.33 89.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 70.11 110.383 177.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.603 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 55.5 t90 -56.46 -51.65 67.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 71.21 110.445 177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 15.2 t80 -59.37 -43.76 92.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 71.31 111.212 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.718 ' HG3' HD22 ' A' ' 17' ' ' LEU . 39.4 tt0 -59.58 -36.84 77.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.365 -0.379 . . . . 73.1 111.5 -177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 10' ' ' GLN . 18.2 t -90.18 -22.05 6.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.026 0.441 . . . . 42.31 111.072 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -102.3 -47.17 4.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.576 0.584 . . . . 72.14 112.576 -166.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 73.4 mmtt -120.64 -18.95 7.61 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.178 0.436 . . . . 74.22 112.178 -171.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD22 ' HG3' ' A' ' 13' ' ' GLU . 24.4 tp -51.5 -54.93 33.8 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 112.782 0.66 . . . . 72.22 112.782 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 79.9 Cg_endo -83.87 21.18 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.898 1.732 . . . . 74.02 112.995 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -130.93 -56.66 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.837 0.31 . . . . 63.33 111.837 -175.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.1 m -71.09 149.87 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.283 0.563 . . . . 74.51 112.091 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.1 m -67.55 165.95 15.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.47 -0.786 . . . . 64.42 110.787 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.47 -32.67 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.14 110.436 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -60.16 -32.46 71.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 62.44 110.523 176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.756 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 62.9 m -87.1 -31.78 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 61.02 110.758 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -56.7 -39.01 73.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 74.42 111.019 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -70.29 -27.86 64.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 73.5 111.38 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.756 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 79.4 m-70 -60.14 -51.13 70.92 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.849 -0.426 . . . . 71.55 109.849 175.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -63.91 -42.83 97.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 72.12 110.672 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -55.03 -49.95 70.28 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.068 177.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.4 m -66.75 -38.34 86.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.51 110.857 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.71 92.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 21.53 110.502 176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -59.96 -35.21 74.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.53 -0.759 . . . . 74.4 111.096 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 59.5 mttm -60.46 -46.07 91.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 121.14 0.495 . . . . 74.14 110.305 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.501 ' HB3' ' HE1' ' A' ' 55' ' ' PHE . 85.4 m-70 -73.12 -34.23 66.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.639 -0.71 . . . . 74.12 111.166 -176.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -65.86 -44.69 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.898 0.38 . . . . 60.02 110.187 175.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -63.5 -26.78 68.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.79 -0.641 . . . . 70.34 110.786 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.37 -51.73 27.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 71.4 111.268 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.38 -35.99 18.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.018 0.747 . . . . 74.23 113.018 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 82.7 m-85 -119.93 84.71 2.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.626 0.727 . . . . 63.34 111.937 -173.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -98.14 114.86 27.2 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.046 -0.979 . . . . 73.24 110.575 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 63.4 m170 68.9 5.19 4.87 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.045 0.538 . . . . 62.02 112.07 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 34.7 tttp -81.34 125.65 30.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.786 0.327 . . . . 70.01 110.967 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.55 148.9 40.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.949 -0.568 . . . . 75.32 110.567 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' A' ' 79' ' ' PHE . 2.6 pt? -67.13 -28.92 68.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.879 0.371 . . . . 64.02 111.057 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 17.8 pttp -81.06 -15.88 54.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.378 0.609 . . . . 73.31 110.097 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -95.39 -3.96 46.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.422 -0.808 . . . . 74.12 110.027 -173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.6 mm -61.09 118.91 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.362 -0.835 . . . . 63.53 110.811 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 51' ' ' GLU . 4.9 mtpm? -66.66 120.99 14.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.998 -0.741 . . . . 71.31 108.998 175.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -67.86 -27.18 66.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.113 0.482 . . . . 72.33 110.286 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -33.34 70.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.915 -0.584 . . . . 71.21 110.44 172.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.822 ' HB2' ' HB2' ' A' ' 48' ' ' LYS . 10.0 tp10 -70.97 -38.45 72.79 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.208 -0.664 . . . . 75.22 109.208 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -64.13 -43.32 95.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.534 -0.757 . . . . 75.11 110.011 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.837 -0.62 . . . . 73.52 109.821 174.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -58.25 -42.53 86.62 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.213 -0.448 . . . . 51.32 111.089 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 71.2 t80 -56.32 -46.62 79.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.63 -0.714 . . . . 72.31 110.849 177.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -42.42 94.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.992 -0.549 . . . . 74.13 111.058 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.53 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 94.7 m-20 -60.58 -47.47 86.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.686 -0.234 . . . . 71.34 111.14 -178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -62.26 -36.0 80.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.019 0.437 . . . . 75.03 110.325 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -68.87 -42.51 76.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.754 -0.657 . . . . 74.12 110.383 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.2 -11.02 79.25 Favored Glycine 0 N--CA 1.453 -0.212 0 CA-C-N 116.101 -0.499 . . . . 74.44 112.995 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -87.9 -14.18 40.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.777 0.322 . . . . 55.21 110.657 176.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.6 p -128.58 9.15 5.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.225 0.454 . . . . 65.12 112.225 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -147.28 175.18 10.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.437 -0.347 . . . . 74.25 110.482 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.4 t -88.23 169.77 11.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.44 -0.345 . . . . 74.31 110.606 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.8 t80 -64.32 -42.24 96.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 72.4 111.103 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 3.9 mm-40 -61.22 -35.74 78.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.383 -0.371 . . . . 75.42 110.869 178.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 m -68.89 -45.5 70.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.045 -0.525 . . . . 72.33 110.73 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.581 HG12 HD22 ' A' ' 98' ' ' LEU . 11.2 tt -73.32 -34.69 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.44 -0.345 . . . . 63.41 111.04 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -68.65 -41.14 79.8 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.096 -0.335 . . . . 71.13 110.096 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 13.5 mptt -55.46 -50.58 69.47 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.611 -0.514 . . . . 62.53 109.611 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 42.8 tp -53.79 -56.86 13.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.391 -0.822 . . . . 73.32 111.705 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.5 t30 -56.51 -39.53 73.47 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.792 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.8 t -61.81 -37.71 85.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 75.31 110.995 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -70.47 -50.33 39.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.98 0.419 . . . . 71.42 110.375 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 4' ' ' PHE . 73.9 mt -63.79 -42.96 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.008 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.579 ' HA ' HG21 ' A' ' 93' ' ' THR . 40.9 ttt-85 -58.46 -44.84 89.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.524 -0.307 . . . . 74.34 110.291 177.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.555 HD22 ' HZ2' ' A' ' 11' ' ' TRP . 3.2 t30 -66.16 -33.93 76.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 62.14 110.615 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.36 -46.55 89.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.065 0.459 . . . . 52.1 110.475 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.441 ' CE1' ' HB2' ' A' ' 44' ' ' LEU . 54.2 m-85 -74.82 -33.75 62.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 72.03 111.474 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 32.0 t70 -66.42 -34.4 77.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.313 -0.403 . . . . 72.32 110.381 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 9.7 t70 -73.42 -38.25 65.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.267 0.556 . . . . 74.33 109.833 176.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -51.69 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 62.42 110.771 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.3 tt -63.84 -30.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.166 0.508 . . . . 70.42 110.241 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 21.7 t-80 -57.84 -25.19 60.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.369 -0.832 . . . . 54.52 111.105 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -118.14 -4.22 11.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.795 0.331 . . . . 41.12 111.365 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 87.5 21.45 47.97 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.75 -0.738 . . . . 65.3 112.137 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.98 -24.23 59.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.437 . . . . 64.34 110.086 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.58 143.06 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 108.887 -0.783 . . . . 73.31 108.887 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.52 -31.59 5.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.754 0.312 . . . . 73.4 111.542 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -138.77 135.1 34.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.655 0.264 . . . . 61.41 110.482 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 5.6 m-20 -89.45 127.16 55.88 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.963 -0.562 . . . . 72.45 110.902 -178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 7.3 Cg_exo -74.83 8.26 2.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.244 2.629 . . . . 75.33 112.633 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.579 HG21 ' HA ' ' A' ' 76' ' ' ARG . 7.1 p -81.85 5.92 17.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.303 0.573 . . . . 41.42 110.686 177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -76.24 141.1 41.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.598 -0.728 . . . . 74.41 110.457 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 tptp 72.83 4.04 4.86 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.328 0.651 . . . . 64.13 111.393 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . . . -74.94 145.34 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.027 -0.533 . . . . 61.24 111.197 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -138.7 155.81 47.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 63.22 110.21 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HG12 ' A' ' 68' ' ' ILE . 85.7 mt -114.88 96.48 5.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.581 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -121.5 94.88 4.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.888 0.375 . . . . 65.14 111.024 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.76 87.36 5.26 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.26 -0.645 . . . . 72.42 109.26 173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.603 ' HA ' ' HB3' ' A' ' 104' ' ' GLU . 10.1 t -66.92 -6.01 14.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.637 -0.711 . . . . 70.32 111.598 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 28.7 t -68.86 -37.93 78.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.071 0.462 . . . . 55.24 109.988 175.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 pp -115.96 2.41 13.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.971 -0.559 . . . . 71.42 111.498 -178.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.603 ' HB3' ' HA ' ' A' ' 101' ' ' SER . 33.7 tt0 -81.31 92.43 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.35 0.595 . . . . 73.04 110.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -160.38 124.92 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.041 -0.982 . . . . 74.44 108.711 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -119.65 115.8 24.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.197 0.522 . . . . 72.32 111.255 -175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -135.14 117.65 15.83 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.425 -0.807 . . . . 65.43 108.907 173.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -107.88 132.8 53.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.161 0.505 . . . . 71.31 111.249 -174.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -85.61 -30.64 23.12 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.018 -0.734 . . . . 65.41 109.018 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.172 -0.922 . . . . 71.41 109.405 173.281 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.712 ' HG2' HD22 ' A' ' 43' ' ' LEU . 48.3 ttm . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.921 0.391 . . . . 54.31 110.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.48 HD11 ' OD2' ' A' ' 6' ' ' ASP . 14.7 tt -104.6 164.67 3.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 75.44 110.856 -175.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.672 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 23.0 p -76.56 149.59 36.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.063 -0.347 . . . . 73.42 110.063 175.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.619 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 24.9 t80 -66.46 -38.85 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.691 -0.232 . . . . 74.54 111.255 -175.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -48.86 78.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.871 0.367 . . . . 63.52 111.062 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' OD2' HD11 ' A' ' 2' ' ' ILE . 38.2 t70 -68.95 -40.23 79.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 55.13 110.622 -177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -59.92 -46.31 89.77 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.956 -0.565 . . . . 73.2 110.511 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -60.59 -44.58 96.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.506 . . . . 74.01 110.975 -178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -65.91 -45.3 82.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 71.15 111.002 -178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -58.03 -46.23 85.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.206 0.527 . . . . 73.41 110.035 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -55.19 -47.67 74.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.205 -0.907 . . . . 73.02 110.683 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.535 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 5.4 t80 -65.38 -50.34 65.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 64.35 111.905 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -64.77 -24.75 67.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.336 0.495 . . . . 73.15 112.336 -171.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.72 -23.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 111.819 0.303 . . . . 64.51 111.819 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -111.81 -31.37 6.97 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.468 0.914 . . . . 41.23 113.468 -169.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' HG22 ' A' ' 20' ' ' VAL . 5.1 mptp? -113.39 -16.77 12.41 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.452 -0.499 . . . . 72.24 112.308 -175.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.719 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 25.3 tp -50.49 -59.02 8.06 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.059 0.762 . . . . 75.51 113.059 -171.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 87.5 Cg_endo -86.05 15.82 2.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.143 1.895 . . . . 31.21 113.367 -174.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -123.41 -51.05 1.86 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.791 -0.364 . . . . 73.42 111.805 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.65 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 25.3 m -79.53 151.92 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 74.33 111.682 -173.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 36.9 m -73.54 171.3 13.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 45.22 110.68 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -65.29 -25.38 67.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.697 0.284 . . . . 71.34 111.398 -178.571 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.0 p -62.66 -42.64 99.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 44.14 110.0 173.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.65 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.4 m -73.32 -31.7 64.15 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.877 -0.601 . . . . 73.44 110.768 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 28.7 mmtm -56.58 -45.21 81.48 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 109.139 -0.689 . . . . 63.22 109.139 174.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -57.25 -43.68 83.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.177 -0.92 . . . . 74.34 110.911 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -57.85 -53.31 59.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.351 -0.386 . . . . 74.3 111.124 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -64.26 -41.12 97.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.43 111.708 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.44 -42.68 99.13 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.902 -0.319 . . . . 55.14 110.81 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.2 m -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.378 . . . . 64.23 110.497 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.72 67.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.954 0.407 . . . . 42.43 110.499 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -57.57 -43.19 84.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 72.53 112.018 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -71.03 -32.5 69.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.849 -0.34 . . . . 50.2 111.673 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -74.86 -36.12 62.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.893 -0.323 . . . . 60.32 110.683 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.496 HG23 ' HD2' ' A' ' 39' ' ' PHE . 77.6 mt -62.43 -50.9 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 62.51 110.144 175.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -63.75 -27.78 69.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.194 0.521 . . . . 72.41 110.632 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -68.53 -44.38 74.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.755 -0.657 . . . . 75.54 111.174 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -86.79 -54.94 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.025 0.44 . . . . 75.34 111.514 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' HD2' HG23 ' A' ' 35' ' ' ILE . 45.9 m-85 -88.67 63.84 7.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.555 0.693 . . . . 75.44 111.106 -171.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -69.18 111.8 5.36 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.03 -0.986 . . . . 74.12 110.394 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 57.3 m170 64.85 25.16 12.83 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.93 -0.577 . . . . 74.14 110.959 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.12 132.25 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.856 0.36 . . . . 60.45 110.616 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD22 ' HG2' ' A' ' 1' ' ' MET . 15.5 mt -74.91 156.19 36.63 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.387 -0.597 . . . . 60.4 109.387 176.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.619 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.7 pt? -64.59 -32.78 74.58 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 121.09 -0.244 . . . . 73.35 111.64 -176.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.769 ' HB3' HG22 ' A' ' 88' ' ' VAL . 15.5 ptmt -93.27 -1.85 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 72.21 110.596 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 36.3 t70 -92.41 -6.54 49.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.63 0.728 . . . . 61.25 109.391 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -67.59 98.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.003 -0.999 . . . . 73.4 109.575 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 51' ' ' GLU . 48.1 tttp -59.72 138.58 57.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.236 -0.653 . . . . 64.34 109.236 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.827 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -60.28 -42.72 96.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.072 0.463 . . . . 73.34 110.653 -176.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -70.69 -27.87 64.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.915 -0.584 . . . . 65.41 110.934 178.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 10.4 tp10 -70.61 -38.12 73.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 70.55 109.759 176.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE1' HD13 ' A' ' 75' ' ' ILE . 58.4 t80 -65.18 -37.3 86.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.53 -0.759 . . . . 74.23 109.912 176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 50' ' ' THR . 5.1 tp-100 -54.75 -57.23 12.35 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.651 -0.704 . . . . 62.24 110.02 171.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -51.4 -39.8 57.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.697 -0.683 . . . . 75.54 111.639 177.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 71' ' ' LEU . 64.3 t80 -60.96 -51.49 69.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.386 -0.37 . . . . 65.31 110.634 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.616 ' HB3' HD11 ' A' ' 68' ' ' ILE . 93.4 mt -65.99 -38.13 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 73.35 110.374 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.8 t-20 -53.97 -53.46 52.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.614 -0.721 . . . . 72.23 110.649 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.92 -40.35 91.36 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.06 -0.518 . . . . 71.14 110.881 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -66.35 -39.01 88.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 73.11 110.513 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.21 -15.6 81.32 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 116.128 -0.487 . . . . 55.15 112.687 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 79.0 mt -84.6 -13.26 52.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.697 0.284 . . . . 75.23 110.553 176.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.6 p -121.41 -0.47 9.81 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.106 0.41 . . . . 74.04 112.106 -175.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -143.09 168.69 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.567 0.222 . . . . 61.15 110.616 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.2 p -82.29 172.81 12.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.361 -0.381 . . . . 65.32 111.19 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 65.2 t80 -61.27 -47.5 85.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.065 -0.516 . . . . 74.23 111.724 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.518 ' OE2' ' HD3' ' A' ' 69' ' ' ARG . 9.7 mm-40 -60.05 -33.88 72.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 111.737 0.273 . . . . 75.12 111.737 -178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.81 -48.36 69.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 73.13 110.677 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.616 HD11 ' HB3' ' A' ' 56' ' ' LEU . 11.7 tt -72.61 -34.05 46.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.242 -0.436 . . . . 65.32 110.384 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.518 ' HD3' ' OE2' ' A' ' 66' ' ' GLU . 71.4 ttt180 -60.99 -50.36 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 75.34 110.357 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.26 -47.66 82.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 73.52 110.725 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 32.9 tp -53.17 -54.7 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 62.52 111.105 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 26.5 t-20 -62.64 -33.49 75.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.586 -0.734 . . . . 74.01 111.197 -178.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -61.21 -47.92 83.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.439 -0.346 . . . . 73.24 111.032 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -61.76 -43.13 99.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.97 0.415 . . . . 73.33 110.097 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.43 HD13 ' HE1' ' A' ' 52' ' ' TYR . 83.4 mt -62.94 -42.07 95.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.477 -0.783 . . . . 63.33 111.017 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 64.3 mtt180 -59.45 -48.52 81.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.849 0.357 . . . . 71.14 110.438 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -66.68 -36.1 81.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.858 -0.61 . . . . 54.11 110.924 -175.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.18 -41.85 97.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.002 0.429 . . . . 74.13 110.507 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.04 -30.37 62.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 64.54 111.217 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 83' ' ' ILE . 38.3 m-20 -56.39 -44.32 80.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 62.41 110.403 174.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -68.89 -35.21 76.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.423 -0.353 . . . . 72.15 110.742 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -68.45 -44.18 75.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 74.34 111.243 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 80' ' ' ASP . 13.6 tt -67.81 -28.79 42.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 70.31 111.231 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.6 m170 -54.88 -32.04 60.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.728 0.299 . . . . 73.12 110.374 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -95.62 -32.54 12.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.403 0.621 . . . . 73.24 109.643 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 108.08 25.83 5.72 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.48 -0.782 . . . . 74.32 111.714 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.48 ' CE1' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -59.81 -55.37 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.299 0.571 . . . . 73.41 109.77 179.654 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.769 HG22 ' HB3' ' A' ' 45' ' ' LYS . 39.4 t -120.5 122.77 68.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.757 -0.656 . . . . 65.14 109.296 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.1 tt -78.6 -32.54 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.447 . . . . 75.11 111.371 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -125.16 102.57 7.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.858 -0.423 . . . . 71.02 109.858 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.92 143.63 87.4 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 73.43 110.946 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HA ' ' HG3' ' A' ' 49' ' ' ARG . 36.9 Cg_exo -62.3 -9.45 15.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 123.299 2.666 . . . . 75.15 113.033 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 15.3 p -75.74 77.84 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.24 0.543 . . . . 74.43 110.686 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.827 ' HB2' ' HG2' ' A' ' 49' ' ' ARG . 55.1 t80 -87.48 -78.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.87 -0.605 . . . . 73.35 109.678 178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -112.8 84.7 2.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.634 0.731 . . . . 71.42 109.602 172.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -88.42 94.26 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.114 -0.948 . . . . 55.42 110.148 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -100.01 108.91 21.22 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.46 -0.791 . . . . 73.25 110.46 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.0 mt -84.51 43.3 0.96 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.587 -0.733 . . . . 63.02 109.951 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -85.2 81.95 8.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.021 -0.991 . . . . 75.33 110.541 -174.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 107.86 6.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.868 -0.605 . . . . 73.13 110.591 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.476 ' HA ' ' HG2' ' A' ' 104' ' ' GLU . 73.9 m -74.87 0.48 15.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 70.03 111.95 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.54 -29.16 33.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.19 0.519 . . . . 75.44 109.656 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 83.8 mt -94.76 1.33 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 75.25 112.018 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 101' ' ' SER . 13.8 pt-20 -108.57 136.49 48.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.887 -0.412 . . . . 54.23 109.887 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -115.24 176.74 4.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.017 -0.538 . . . . 51.4 110.692 -173.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -143.76 117.14 9.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 74.34 109.786 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -95.99 174.73 6.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.9 0.381 . . . . 74.52 110.758 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -88.77 166.74 13.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.008 -0.542 . . . . 70.41 109.748 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -136.77 -29.04 0.95 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.181 0.515 . . . . 75.41 109.722 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 . . . . . 0 C--O 1.242 0.7 0 CA-C-N 115.336 -0.847 . . . . 74.4 108.815 -179.715 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.3 mmm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.911 0.386 . . . . 54.02 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 tt -138.89 159.19 30.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.12 -175.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.1 p -77.36 152.86 34.24 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.308 -0.256 . . . . 63.01 110.308 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.502 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 17.5 t80 -63.83 -44.14 94.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.346 -0.388 . . . . 73.14 110.812 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.94 -49.43 77.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.006 -0.543 . . . . 61.41 111.288 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.48 -39.29 77.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.391 -0.368 . . . . 71.22 110.914 -176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -62.8 -42.29 99.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 72.04 110.785 178.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.24 -44.74 88.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.909 0.385 . . . . 64.5 110.394 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -70.04 -42.88 72.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.695 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -59.6 -45.43 91.94 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.03 0.443 . . . . 72.21 110.114 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.587 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 73.0 t90 -56.59 -51.43 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.3 -0.863 . . . . 72.23 110.571 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.581 ' OH ' ' HD2' ' A' ' 25' ' ' LYS . 34.0 t80 -60.44 -50.76 72.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.479 -0.328 . . . . 73.34 111.213 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -52.78 -34.67 54.35 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.95 0.781 . . . . 74.35 111.802 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.3 t -92.27 -33.16 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 42.11 111.786 -178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.587 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.1 t-20 -98.7 -54.35 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.164 0.802 . . . . 72.43 113.164 -163.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.9 mmtt -104.79 -11.59 16.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.088 0.403 . . . . 73.2 112.088 -168.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.645 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 13.0 tp -49.61 -56.61 15.73 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 112.723 0.638 . . . . 74.45 112.723 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.645 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 98.9 Cg_endo -82.95 12.81 2.82 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.982 1.788 . . . . 75.32 113.63 -175.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -120.46 -23.62 6.07 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.624 -0.431 . . . . 74.12 111.727 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 26.1 m -98.8 158.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.926 0.394 . . . . 75.33 111.46 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 p -86.05 173.4 9.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.766 -0.652 . . . . 73.54 110.629 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.671 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -62.76 -36.61 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.86 0.362 . . . . 63.43 111.358 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 m -61.8 -36.81 82.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.055 0.455 . . . . 71.33 110.113 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.649 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -71.35 -34.56 70.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.118 -0.492 . . . . 61.02 110.05 177.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 3.6 mmmm -55.33 -46.76 76.33 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.432 -0.581 . . . . 62.14 109.432 173.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 26' ' ' ARG . 15.5 mmm-85 -58.42 -41.8 85.82 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.593 -0.73 . . . . 72.42 111.335 178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -62.15 -46.98 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 73.3 111.119 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.46 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 37.0 m-85 -65.18 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.552 -0.294 . . . . 72.31 111.006 178.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 46.8 mt-10 -56.42 -54.27 47.56 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.783 -0.451 . . . . 61.21 109.783 172.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.1 t -54.79 -48.2 73.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.412 -0.813 . . . . 51.12 110.287 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.72 -56.02 26.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 43.15 111.001 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -57.19 -44.81 83.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 63.22 111.826 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 29' ' ' GLU . 51.4 mtpt -69.28 -37.4 77.83 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.648 0.261 . . . . 74.32 111.407 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -74.04 -34.83 64.24 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 119.961 -0.696 . . . . 72.01 110.352 178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.61 -51.06 76.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 CA-C-N 116.014 -0.539 . . . . 74.01 110.784 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' ' HD3' ' A' ' 40' ' ' ARG . 14.2 ptmm? -64.53 -26.24 68.34 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 120.597 0.237 . . . . 64.24 110.945 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -72.3 -49.94 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 72.23 111.324 176.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -76.63 -33.49 58.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 72.13 110.89 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 60.0 m-85 -121.31 92.41 3.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.382 -0.599 . . . . 74.32 109.382 178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 26.2 mmt180 -72.8 -54.08 9.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.671 -0.695 . . . . 64.03 111.748 -173.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -130.07 23.41 5.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.377 0.608 . . . . 61.25 110.221 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 39' ' ' PHE . 5.4 tptp -66.32 129.29 39.34 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.211 -0.904 . . . . 72.21 109.675 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.61 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 86.5 mt -70.87 159.09 35.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.748 0.308 . . . . 65.4 110.557 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HD1' ' A' ' 4' ' ' PHE . 3.1 tm? -58.45 -35.7 72.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.853 -0.612 . . . . 55.11 110.38 -177.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.48 7.43 46.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.879 -0.6 . . . . 75.44 111.379 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 26.0 t70 -100.27 -0.61 38.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.873 0.368 . . . . 60.13 110.744 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.435 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 26.2 mm -75.01 115.2 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.791 -0.448 . . . . 72.01 109.791 179.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 93.4 mttt -86.65 173.38 9.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.854 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.818 ' HG3' ' HB3' ' A' ' 94' ' ' TYR . 0.6 OUTLIER -69.16 -49.19 58.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.813 -0.631 . . . . 73.13 110.944 -177.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 p -71.0 -32.28 69.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.075 -0.511 . . . . 63.44 111.738 -176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 75.2 mt-10 -63.72 -47.33 81.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.573 -0.529 . . . . 75.14 109.573 176.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.717 ' HE1' HG21 ' A' ' 75' ' ' ILE . 46.3 t80 -59.39 -44.83 92.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.028 -0.987 . . . . 73.32 110.226 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 74.52 110.709 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -39.52 94.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.406 -0.361 . . . . 73.41 110.53 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CE2' HD21 ' A' ' 71' ' ' LEU . 63.9 t80 -59.13 -46.96 86.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.828 -0.624 . . . . 73.42 110.604 177.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.25 -43.73 93.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.173 -0.467 . . . . 53.3 110.715 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.0 m-20 -59.74 -46.06 90.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.214 -0.448 . . . . 61.21 111.322 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.73 -24.05 60.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 74.45 111.109 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -77.28 -39.13 49.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.915 0.388 . . . . 73.44 110.16 178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -78.75 3.33 64.61 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.807 -0.633 . . . . 74.14 112.897 -178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.662 HD23 ' HB3' ' A' ' 101' ' ' SER . 94.6 mt -86.17 -17.8 33.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 42.23 110.421 176.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 26.5 p -129.17 7.25 5.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.855 0.359 . . . . 54.44 111.695 -176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -137.23 151.77 49.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.523 -0.308 . . . . 74.21 111.148 -176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 53.5 m -73.46 168.27 19.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.009 -0.541 . . . . 41.34 110.872 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.624 ' CE2' ' HD2' ' A' ' 69' ' ' ARG . 67.6 t80 -63.74 -44.41 93.61 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 112.347 0.499 . . . . 74.41 112.347 -172.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.345 -0.542 . . . . 75.22 111.142 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 44.5 m -66.12 -43.07 88.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.55 -0.296 . . . . 73.03 111.044 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG12 HD22 ' A' ' 98' ' ' LEU . 12.7 tt -69.78 -32.89 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 N-CA-C 110.05 -0.352 . . . . 42.34 110.05 177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.624 ' HD2' ' CE2' ' A' ' 65' ' ' TYR . 13.5 mtp180 -57.26 -48.96 77.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.457 -0.338 . . . . 73.24 110.844 174.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -55.01 -48.37 73.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.328 -0.397 . . . . 74.52 110.397 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.513 HD21 ' CE2' ' A' ' 55' ' ' PHE . 34.6 tp -52.74 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.838 -0.619 . . . . 70.14 111.45 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.4 t30 -57.65 -38.85 75.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 44.11 110.888 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -60.89 -41.64 96.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.697 -0.683 . . . . 75.43 111.317 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -67.72 -48.82 65.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.904 0.383 . . . . 70.52 110.614 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.717 HG21 ' HE1' ' A' ' 52' ' ' TYR . 61.5 mt -63.47 -45.99 96.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.705 -0.68 . . . . 73.31 111.037 -176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.2 ttt180 -62.22 -36.01 80.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 71.41 110.807 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -72.49 -37.99 68.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.341 -0.39 . . . . 75.32 110.553 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.56 -47.5 85.91 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 121.35 0.595 . . . . 64.4 110.545 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.61 -31.09 72.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.932 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.493 ' HA ' HG22 ' A' ' 83' ' ' ILE . 17.8 t70 -62.21 -46.01 90.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 63.24 110.847 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -40.68 88.57 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.103 0.478 . . . . 73.43 110.346 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.17 -51.23 56.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.841 -0.618 . . . . 54.4 111.777 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.493 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.1 tt -66.44 -32.42 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 75.14 111.582 -174.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -65.79 -14.17 60.87 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.713 0.264 . . . . 65.03 111.713 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -112.5 -33.78 6.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.974 0.416 . . . . 74.03 110.569 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.93 22.2 6.38 Favored Glycine 0 N--CA 1.451 -0.344 0 N-CA-C 111.182 -0.767 . . . . 64.12 111.182 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.489 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 38.9 t80 -71.1 -30.47 66.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.246 -0.477 . . . . 71.35 110.439 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.05 156.36 16.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.767 -0.651 . . . . 53.45 110.413 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.0 mm -79.33 -61.73 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.106 0.479 . . . . 71.4 110.718 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -146.09 134.75 22.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.891 -0.595 . . . . 65.42 110.299 -178.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -76.02 141.77 71.65 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.599 -0.728 . . . . 71.52 111.003 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.717 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . 83.5 Cg_endo -86.56 4.37 6.37 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.912 2.408 . . . . 74.15 112.388 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.4 p -75.82 8.67 2.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.008 -0.542 . . . . 73.41 112.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.818 ' HB3' ' HG3' ' A' ' 49' ' ' ARG . 91.6 t80 -61.54 -55.96 25.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.05 0.452 . . . . 75.32 109.821 175.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -92.86 77.1 4.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.273 0.558 . . . . 61.23 109.963 174.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -106.21 33.55 3.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.287 -0.87 . . . . 34.14 110.149 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.6 114.49 7.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.783 -0.644 . . . . 73.13 110.277 -178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.508 HD13 ' HG2' ' A' ' 69' ' ' ARG . 76.4 mt -79.39 96.08 5.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.227 -0.442 . . . . 62.15 110.663 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -101.57 90.77 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.109 -0.496 . . . . 73.04 111.0 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.43 93.26 8.5 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.046 -0.525 . . . . 44.34 109.793 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.662 ' HB3' HD23 ' A' ' 61' ' ' LEU . 24.8 t -85.61 9.17 16.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.59 . . . . 70.32 111.409 -173.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 60' ' ' GLY . 86.7 t -63.33 -38.66 82.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.355 0.597 . . . . 74.24 109.599 173.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.41 95.1 6.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.507 -0.769 . . . . 73.34 109.965 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -75.84 -53.54 8.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.584 -0.525 . . . . 73.02 109.584 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -128.18 162.01 27.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.968 -0.56 . . . . 71.25 110.071 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -102.09 151.5 22.09 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.318 -0.401 . . . . 70.43 110.582 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -70.24 113.11 7.08 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.747 -0.464 . . . . 72.42 109.747 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -68.43 -35.29 77.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.236 0.541 . . . . 71.43 109.984 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.5 p-80 -164.43 155.99 15.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.326 -0.852 . . . . 44.44 108.83 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.4 p80 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.365 -0.826 . . . . 73.44 110.088 178.691 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.7 mtp . . . . . 0 N--CA 1.482 1.167 0 N-CA-C 109.736 -0.468 . . . . 73.52 109.736 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tp -103.51 150.65 6.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 64.43 111.278 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.485 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -74.17 147.05 42.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.571 174.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -60.11 -45.98 91.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.121 -0.49 . . . . 70.24 111.729 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.01 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.039 0.447 . . . . 52.03 111.403 -178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.97 -46.21 88.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.881 -0.6 . . . . 74.24 111.525 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -64.45 -38.43 90.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.507 -0.315 . . . . 61.31 110.545 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -61.07 -45.93 92.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.772 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -69.95 -42.46 73.19 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.868 -0.333 . . . . 64.15 110.402 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.408 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.2 tt0 -62.12 -40.06 94.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 74.35 110.163 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 56.7 t90 -58.04 -50.25 74.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 73.42 110.108 174.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -59.47 -42.25 91.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 75.44 111.094 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.6 tt0 -59.5 -37.1 77.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 75.31 111.483 -177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' GLN . 28.0 t -90.66 -19.41 7.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.132 0.491 . . . . 74.42 111.228 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -101.84 -60.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -168.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' VAL . 72.3 mmtt -106.83 -19.97 13.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.885 0.328 . . . . 73.34 111.885 -169.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.673 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 35.0 tp -46.66 -56.0 12.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 113.315 0.858 . . . . 63.01 113.315 -172.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 85.9 Cg_endo -88.66 17.91 1.58 Allowed 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 121.82 1.68 . . . . 73.32 113.725 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.1 -31.89 2.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.422 0.527 . . . . 71.14 112.422 -175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.0 m -91.11 160.06 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.5 . . . . 73.03 111.782 -174.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 13.5 p -87.82 171.33 10.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.668 -0.697 . . . . 54.54 110.306 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.52 -36.81 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.103 0.409 . . . . 74.42 112.103 -177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -60.27 -51.19 70.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.716 0.293 . . . . 55.55 110.594 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.715 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 12.4 m -66.58 -37.3 84.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.991 -0.549 . . . . 74.52 110.621 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 9.4 mtpm? -57.31 -51.56 68.87 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.302 -0.408 . . . . 73.43 110.453 177.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 26' ' ' ARG . 14.6 mtm180 -63.31 -28.83 70.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.741 -0.663 . . . . 74.13 111.629 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -61.24 -52.33 65.21 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.901 -0.32 . . . . 73.15 110.294 173.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -62.67 -45.62 91.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.081 -0.509 . . . . 61.05 111.213 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 46.3 mt-10 -64.06 -42.72 96.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.637 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.587 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 26.3 m -68.17 -37.94 81.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 62.53 110.506 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.91 -42.2 93.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.148 0.499 . . . . 62.34 109.707 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.22 -32.93 72.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.223 -0.899 . . . . 75.22 110.915 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.587 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 40.8 mmtm -62.92 -47.12 84.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 121.0 0.429 . . . . 75.21 110.254 178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' CD2' ' HE1' ' A' ' 59' ' ' TYR . 96.3 m-70 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 65.54 110.391 -177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.1 mt -67.78 -39.57 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.812 -0.631 . . . . 64.05 110.037 175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.676 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.7 tppt? -59.71 -30.03 68.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.503 -0.772 . . . . 72.44 111.075 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -83.56 -42.5 16.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.434 -0.348 . . . . 70.22 111.861 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -86.73 -54.79 4.17 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.901 0.334 . . . . 72.42 111.901 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.607 ' HD1' ' HG2' ' A' ' 42' ' ' LYS . 71.5 m-85 -96.87 58.32 1.61 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.146 0.498 . . . . 75.21 110.442 -175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 85.9 mtt180 -64.82 -57.49 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.382 -0.826 . . . . 73.4 111.353 -176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -113.04 23.15 13.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.198 0.523 . . . . 70.32 110.47 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.607 ' HG2' ' HD1' ' A' ' 39' ' ' PHE . 37.8 tptt -83.98 120.47 26.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.666 -0.697 . . . . 74.55 109.87 -178.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 88.0 mt -70.24 151.89 44.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.023 -0.535 . . . . 70.51 111.033 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 tp -57.61 -35.74 70.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.652 . . . . 72.43 110.9 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -81.7 -10.08 59.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.811 -0.631 . . . . 73.53 111.579 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' O ' ' HD2' ' A' ' 48' ' ' LYS . 4.2 t70 -99.05 7.58 45.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.231 0.538 . . . . 71.21 110.646 -172.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.0 mm -80.02 97.39 2.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.378 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.693 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 9.0 mptt -84.13 160.48 20.88 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.688 -0.486 . . . . 75.04 109.688 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.956 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 97.8 mtt180 -61.96 -38.81 89.91 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.109 -0.496 . . . . 73.03 111.16 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 p -69.19 -40.79 77.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.434 -0.348 . . . . 74.33 111.309 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 5.4 mm-40 -59.6 -48.96 79.61 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.639 0.733 . . . . 64.24 109.686 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 16.1 t80 -62.99 -39.61 95.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.583 -1.19 . . . . 75.12 110.81 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -66.94 -42.05 85.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.312 -0.403 . . . . 72.42 111.132 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.05 -37.32 71.63 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.989 0.424 . . . . 74.23 110.907 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.1 t80 -64.7 -43.5 93.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 63.24 110.403 175.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HB3' HD11 ' A' ' 68' ' ' ILE . 92.6 mt -68.56 -37.19 79.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.002 -0.545 . . . . 61.23 111.283 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.9 m-20 -55.22 -48.81 73.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.371 . . . . 73.42 110.032 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -61.8 -40.02 93.78 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.52 0.676 . . . . 71.12 110.512 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 20.0 t80 -71.62 -36.22 70.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.345 -0.843 . . . . 73.44 110.773 -176.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.88 -7.91 87.37 Favored Glycine 0 CA--C 1.517 0.163 0 C-N-CA 121.386 -0.435 . . . . 61.24 112.575 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.8 mt -90.15 -10.9 42.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.855 0.359 . . . . 74.31 110.715 175.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.7 p -119.33 -38.21 3.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.123 -0.49 . . . . 72.22 112.09 -176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -108.91 170.86 7.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.822 0.344 . . . . 74.33 111.385 -174.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.7 m -84.49 -179.95 7.27 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.756 -0.656 . . . . 74.31 111.054 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.69 ' H ' HD21 ' A' ' 103' ' ' LEU . 91.1 t80 -68.36 -47.34 67.69 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.326 0.491 . . . . 74.13 112.326 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.586 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 20.1 tt0 -64.91 -36.33 84.03 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.096 -0.642 . . . . 75.13 110.375 -175.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -61.17 -48.32 82.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 73.14 110.755 -179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 56' ' ' LEU . 12.1 tt -72.74 -34.04 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.932 0.396 . . . . 72.22 110.444 178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.486 ' HA ' HD13 ' A' ' 98' ' ' LEU . 31.6 ttt-85 -60.34 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.694 177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.586 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 22.3 mtpt -69.83 -36.72 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.913 -0.585 . . . . 75.52 110.844 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.453 HD21 ' CE2' ' A' ' 55' ' ' PHE . 27.9 tp -54.34 -53.92 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.089 0.471 . . . . 53.13 110.122 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 8.3 t30 -58.43 -36.91 74.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.27 -0.877 . . . . 63.44 111.033 177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.8 t -63.92 -47.48 80.39 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.517 -0.31 . . . . 64.21 110.463 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -57.77 -48.85 78.47 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.063 0.459 . . . . 72.4 110.21 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.77 -40.89 90.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.671 -0.695 . . . . 71.4 110.447 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 76' ' ' ARG . 20.7 ttp85 -57.49 -48.26 79.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.814 -0.63 . . . . 74.43 110.826 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -64.39 -34.46 78.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.46 -0.336 . . . . 62.34 110.834 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -42.86 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 32.11 111.168 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.11 -38.53 82.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.733 0.301 . . . . 72.41 110.708 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.505 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.6 t70 -64.39 -37.69 88.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.965 -0.561 . . . . 64.05 110.016 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.476 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 14.1 t70 -59.48 -54.39 47.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 71.12 110.071 173.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -57.54 -50.15 74.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.524 -0.762 . . . . 53.12 111.574 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.505 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.5 tt -65.59 -35.48 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.696 0.284 . . . . 60.01 111.114 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -67.09 -29.36 69.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.293 0.568 . . . . 73.34 110.296 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 29.5 mm-40 -94.66 -1.96 52.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.797 -0.638 . . . . 72.24 110.675 -177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.63 21.56 63.78 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.792 -0.718 . . . . 63.1 112.4 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.52 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 2.4 t80 -73.68 -50.97 18.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.248 0.547 . . . . 72.54 109.619 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -138.0 -174.87 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.534 -0.757 . . . . 73.14 110.398 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 89' ' ' ILE . 10.9 tp -138.01 19.97 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 122.036 0.922 . . . . 74.12 108.919 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -94.97 120.73 35.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.149 -0.932 . . . . 75.21 111.13 -172.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -123.1 90.68 50.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 121.099 0.476 . . . . 55.41 110.358 174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.956 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 91.6 Cg_endo -87.3 -3.67 7.74 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.816 2.344 . . . . 74.34 112.46 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.7 p -74.71 -15.11 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.979 0.733 . . . . 72.42 112.979 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.99 -53.8 53.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.827 0.346 . . . . 71.5 111.303 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 95' ' ' LYS . 41.2 tptt -87.58 9.6 20.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.2 0.524 . . . . 54.54 110.707 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -77.41 94.6 4.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.634 -0.712 . . . . 62.33 110.325 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -92.9 119.38 32.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.408 0.623 . . . . 64.45 109.962 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 69' ' ' ARG . 47.6 mt -81.13 76.27 8.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.462 -0.79 . . . . 75.14 110.734 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -96.73 103.49 15.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.0 -0.545 . . . . 73.03 110.506 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -95.19 98.21 10.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.073 -0.512 . . . . 64.35 110.026 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 t -65.41 -18.78 65.58 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.737 -0.665 . . . . 75.01 110.42 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.2 -33.12 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.648 -0.705 . . . . 75.14 111.677 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.69 HD21 ' H ' ' A' ' 65' ' ' TYR . 1.7 pp -130.85 26.51 4.96 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.591 0.589 . . . . 61.21 112.591 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -69.58 103.71 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 74.35 110.462 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -103.4 130.63 50.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.469 -0.787 . . . . 61.24 110.156 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.8 t60 -83.93 -75.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.447 -0.342 . . . . 72.34 110.487 -177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 173.44 154.91 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.77 -0.826 . . . . 74.33 108.77 -175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -56.96 113.71 1.8 Allowed 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.272 -0.64 . . . . 73.34 109.272 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -142.34 154.83 45.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.398 0.618 . . . . 74.32 112.084 -168.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 . . . . . 0 C--O 1.247 0.972 0 N-CA-C 108.424 -0.954 . . . . 70.41 108.424 163.658 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HE3' ' O ' ' A' ' 2' ' ' ILE . 1.5 tmm? . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.073 -0.343 . . . . 75.51 110.073 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' O ' ' HE3' ' A' ' 1' ' ' MET . 10.1 tp -80.75 143.0 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.219 0.533 . . . . 73.43 111.378 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -71.94 147.9 46.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.584 -0.734 . . . . 43.13 110.724 175.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -59.91 -40.21 88.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.76 0.314 . . . . 74.51 110.946 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.21 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 63.44 111.378 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -67.96 -29.65 68.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.956 -0.566 . . . . 64.43 111.184 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -70.4 -43.19 70.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.587 -0.279 . . . . 74.12 110.351 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -55.57 -50.59 69.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 71.21 110.699 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.491 ' HB2' ' CD1' ' A' ' 32' ' ' TYR . 50.9 t80 -66.73 -42.06 86.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.077 -0.51 . . . . 65.21 110.745 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 14' ' ' VAL . 51.9 tt0 -59.55 -52.77 64.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.715 0.293 . . . . 72.32 110.378 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -54.27 -45.32 72.42 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.65 -0.704 . . . . 73.13 111.006 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 25.8 t80 -64.34 -50.93 65.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.197 -0.456 . . . . 74.52 111.001 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 11.2 tm-20 -59.23 -34.45 72.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.941 -0.572 . . . . 74.31 110.922 -175.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 10' ' ' GLN . 94.2 t -78.21 -34.93 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.474 -0.33 . . . . 50.4 111.799 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 19' ' ' HIS . 29.2 m-20 -111.12 -68.13 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.137 0.791 . . . . 73.3 113.137 -169.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.563 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 60.2 mmtt -79.17 -18.51 52.94 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.647 0.24 . . . . 44.03 111.647 -168.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.725 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 30.5 tp -43.14 -59.64 3.0 Favored Pre-proline 0 CA--C 1.54 0.589 0 N-CA-C 113.871 1.063 . . . . 75.1 113.871 -172.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.4 Cg_endo -78.88 -16.67 12.62 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.008 1.805 . . . . 61.31 113.319 -172.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 15' ' ' ASN . 88.4 m-70 -92.53 -30.38 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.587 -0.278 . . . . 75.21 111.397 -171.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.479 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 34.1 m -79.89 158.98 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.939 0.4 . . . . 70.42 111.498 -176.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.543 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 6.2 t -77.03 172.77 12.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.826 -0.624 . . . . 74.3 110.104 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.67 -46.53 85.16 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 70.13 109.932 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.1 p -60.96 -46.08 92.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 31.13 110.732 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 21.1 m -56.92 -39.59 74.75 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.333 -0.394 . . . . 64.5 110.922 178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.0 mtpm? -52.95 -54.17 38.89 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-O 121.154 0.502 . . . . 74.15 110.398 175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 19.8 mmt180 -66.09 -27.03 67.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.131 -0.94 . . . . 75.3 111.215 -173.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -59.14 -43.91 92.06 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.893 -0.41 . . . . 64.32 109.893 170.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -66.4 -44.19 83.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.073 -0.512 . . . . 75.11 110.766 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 26' ' ' ARG . 0.8 OUTLIER -55.33 -45.49 76.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.933 0.397 . . . . 61.13 111.034 175.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -65.69 -39.45 91.27 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.644 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.76 -49.75 73.77 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.063 -0.517 . . . . 74.04 110.096 176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' CD1' ' HB2' ' A' ' 9' ' ' TYR . 33.4 t80 -55.23 -44.96 75.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.017 -0.992 . . . . 72.34 112.18 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -68.41 -38.93 81.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.942 -0.303 . . . . 64.55 110.984 -177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -68.95 -40.3 79.02 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.81 0.338 . . . . 74.32 110.556 178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.32 -46.66 95.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 73.0 110.237 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.0 ttmt -60.22 -42.77 95.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.395 -0.366 . . . . 64.11 111.525 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -65.25 -35.7 81.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.312 -0.404 . . . . 73.23 111.629 -175.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.61 -53.87 4.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.135 0.493 . . . . 72.55 111.584 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.759 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 69.7 m-85 -96.6 51.22 1.16 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.102 -0.499 . . . . 71.21 110.194 -175.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 74.1 mtm-85 -51.23 -45.41 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.399 -0.819 . . . . 73.24 112.625 -173.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -130.65 35.79 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.13 0.49 . . . . 75.1 110.642 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 1.3 tpmt? -96.86 126.78 42.25 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.926 -0.579 . . . . 73.15 109.766 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 79.0 mt -71.71 156.67 39.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.394 -0.366 . . . . 63.24 111.152 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.29 -47.46 75.5 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.679 -0.691 . . . . 73.22 111.58 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.788 ' HA ' HG23 ' A' ' 88' ' ' VAL . 15.0 pttp -87.17 1.11 54.09 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.02 -0.536 . . . . 63.04 111.338 -175.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 13.3 t70 -103.82 9.29 37.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.451 0.643 . . . . 72.23 110.403 -174.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 42' ' ' LYS . 50.4 mm -69.18 124.28 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.411 -0.813 . . . . 61.51 110.479 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.971 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 20.4 mtpp -95.16 144.36 25.84 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.378 -0.601 . . . . 70.31 109.378 177.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -60.26 -34.84 74.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.446 -0.343 . . . . 62.33 111.774 -173.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.6 p -70.43 -40.96 73.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.681 0.277 . . . . 62.3 111.401 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.971 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 3.0 mm-40 -63.04 -41.15 99.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.543 0.687 . . . . 71.05 109.484 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HE1' HD13 ' A' ' 75' ' ' ILE . 69.6 t80 -66.84 -35.86 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.984 -1.007 . . . . 64.44 110.39 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -61.83 -49.59 75.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 75.44 110.071 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -67.18 -30.9 70.98 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.805 0.336 . . . . 44.43 110.839 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.93 -47.51 84.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.011 -0.54 . . . . 73.51 110.195 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' A' ' 68' ' ' ILE . 94.1 mt -65.31 -35.92 82.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.826 -0.625 . . . . 73.13 110.93 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -64.14 -37.63 88.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.215 -177.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -74.19 -39.58 63.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.229 0.538 . . . . 75.22 110.451 177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' HD2' ' HB ' ' A' ' 68' ' ' ILE . 22.4 t80 -66.45 -34.19 77.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 63.21 110.198 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -75.33 -10.63 84.44 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.125 -0.56 . . . . 61.2 112.716 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.1 mt -91.37 -21.53 20.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.861 0.362 . . . . 75.31 110.679 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.3 p -105.42 -28.68 10.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.948 -0.569 . . . . 52.31 111.851 -173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -126.4 166.01 17.98 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.094 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -72.02 163.14 28.4 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.362 -0.381 . . . . 74.42 110.578 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 83.8 t80 -60.78 -33.86 73.62 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 116.07 -0.514 . . . . 74.25 111.143 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.03 -38.67 86.31 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.612 -0.435 . . . . 65.33 110.179 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -64.64 -49.87 69.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.792 -0.64 . . . . 53.04 110.609 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.1 tt -65.75 -33.72 65.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.278 -0.419 . . . . 75.51 110.462 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 65' ' ' TYR . 6.9 ttm180 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.097 0.475 . . . . 73.24 110.174 176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -69.69 -37.66 76.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.833 -0.621 . . . . 73.41 111.093 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.9 tp -52.27 -54.93 25.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.319 0.581 . . . . 74.23 109.873 172.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.611 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 14.9 t-20 -57.98 -37.35 74.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.046 -0.979 . . . . 75.42 111.247 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.8 t -63.02 -42.67 99.84 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.716 0.293 . . . . 71.14 111.095 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.9 -45.12 90.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.346 0.593 . . . . 74.22 109.875 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.511 HD13 ' HE1' ' A' ' 52' ' ' TYR . 78.2 mt -63.25 -34.71 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.176 -0.92 . . . . 74.44 111.056 -178.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 52.5 mtt180 -60.7 -48.68 80.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.678 -0.237 . . . . 73.34 110.48 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -68.19 -33.91 75.31 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.384 -0.371 . . . . 52.14 110.645 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.54 -50.71 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.892 0.377 . . . . 65.04 110.584 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -65.25 -38.54 90.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 74.13 110.908 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.43 ' HA ' HG22 ' A' ' 83' ' ' ILE . 8.5 t70 -64.33 -40.38 95.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.094 0.473 . . . . 64.14 110.834 -176.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -64.8 -43.71 92.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.003 -0.544 . . . . 73.35 109.875 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.4 -43.54 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 64.12 112.071 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.43 HG22 ' HA ' ' A' ' 80' ' ' ASP . 14.8 tt -65.86 -31.81 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 120.758 0.313 . . . . 74.44 110.867 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -64.98 -21.65 66.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.118 0.485 . . . . 64.13 110.167 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -94.45 -10.17 33.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 75.41 111.052 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.26 21.37 75.76 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 110.992 -0.843 . . . . 55.54 110.992 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -84.42 -24.95 29.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.991 -0.605 . . . . 75.23 109.932 -176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.788 HG23 ' HA ' ' A' ' 45' ' ' LYS . 9.9 p -134.21 164.03 35.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.594 -0.73 . . . . 62.23 109.288 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.3 pt -90.22 -167.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.97 0.414 . . . . 52.54 111.369 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -51.97 144.58 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.196 -0.911 . . . . 72.22 111.303 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.46 ' HA ' ' HD2' ' A' ' 92' ' ' PRO . 22.0 t-20 -73.8 120.94 83.82 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.214 -0.903 . . . . 73.05 112.192 -167.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 36.4 Cg_endo -65.84 -15.24 48.21 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.362 2.708 . . . . 62.21 111.905 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 26.1 m -67.84 -4.1 11.63 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.718 0.771 . . . . 62.31 110.506 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -54.88 -36.15 64.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.444 -0.798 . . . . 74.52 111.208 173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.809 ' HE2' ' HA ' ' A' ' 95' ' ' LYS . 0.3 OUTLIER -106.88 26.63 9.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.965 0.412 . . . . 62.01 110.185 -176.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.89 107.62 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.108 0.48 . . . . 45.01 111.85 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . 50.7 mt-10 -103.09 114.79 29.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 73.13 110.416 175.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 56' ' ' LEU . 75.5 mt -88.61 93.06 9.43 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.759 -0.46 . . . . 72.2 109.759 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.488 ' CD2' ' HB3' ' A' ' 97' ' ' GLU . 61.0 m-70 -99.45 82.66 2.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.207 0.527 . . . . 73.34 110.864 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.28 102.88 15.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 74.33 109.196 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.7 t -94.07 9.38 37.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.233 -0.439 . . . . 74.42 110.408 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 60' ' ' GLY . 40.1 t -77.85 81.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 73.44 110.194 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.7 mt -113.62 102.9 10.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.466 -0.788 . . . . 63.51 108.928 174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -23.85 27.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.718 -0.674 . . . . 64.24 112.43 -170.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' ' 106' ' ' HIS . 33.0 t-80 -80.09 61.99 4.13 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.968 0.359 . . . . 64.41 111.968 -173.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 105' ' ' HIS . 8.9 p80 166.81 141.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.241 1.016 . . . . 74.25 108.918 169.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -67.11 132.46 47.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.152 0.501 . . . . 64.53 111.159 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -88.18 153.51 21.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.465 -0.789 . . . . 64.3 110.014 -176.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -97.55 172.25 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.48 -0.327 . . . . 71.2 110.529 -179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.9 t60 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.789 -0.624 . . . . 72.21 109.711 179.271 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' HG3' HD13 ' A' ' 43' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 61.22 111.035 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -156.4 148.06 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.876 -0.786 . . . . 73.12 108.876 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 p -67.85 143.61 55.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.867 0.365 . . . . 71.43 110.774 178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.509 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 25.8 t80 -62.6 -36.71 83.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 70.51 111.088 -178.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.22 -48.58 81.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.49 -0.323 . . . . 44.42 111.375 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -69.37 -44.8 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 60.54 110.492 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -58.68 -43.62 89.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.158 -0.474 . . . . 71.41 110.866 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.89 -49.0 79.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 62.53 111.016 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -65.78 -45.34 82.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.08 -0.509 . . . . 63.44 110.413 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 14' ' ' VAL . 28.3 tt0 -59.94 -43.9 94.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.962 -0.563 . . . . 55.01 110.457 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -56.73 -48.26 78.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.012 -0.54 . . . . 70.32 110.74 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.43 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.0 t80 -61.5 -45.81 92.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.112 -0.495 . . . . 74.43 110.956 176.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.745 ' HG3' HD22 ' A' ' 17' ' ' LEU . 43.1 tt0 -61.49 -39.1 89.72 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 75.42 111.526 -176.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 10' ' ' GLN . 98.6 t -75.53 -22.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.717 0.294 . . . . 72.12 111.565 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.476 ' HB3' ' HD2' ' A' ' 16' ' ' LYS . 39.6 m-80 -110.97 -73.01 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.727 0.64 . . . . 71.41 112.727 -172.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.476 ' HD2' ' HB3' ' A' ' 15' ' ' ASN . 4.1 mptp? -84.94 -13.27 51.25 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.777 0.658 . . . . 74.21 112.777 -167.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.745 HD22 ' HG3' ' A' ' 13' ' ' GLU . 38.7 tp -49.95 -58.34 9.74 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.31 0.856 . . . . 62.23 113.31 -171.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.699 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.9 Cg_endo -82.93 18.79 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 121.996 1.797 . . . . 45.23 113.277 -174.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -124.08 -43.05 2.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.777 0.322 . . . . 73.11 111.154 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.73 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 29.4 m -82.44 147.67 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.05 0.452 . . . . 62.05 111.606 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.551 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 23.9 m -77.48 171.37 15.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.919 -0.582 . . . . 74.12 110.439 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -34.54 69.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.484 -0.325 . . . . 55.14 111.317 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.1 p -59.0 -45.83 89.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.432 -0.349 . . . . 74.14 110.758 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.73 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 13.4 m -69.77 -35.11 74.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.906 0.384 . . . . 74.24 110.502 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 21' ' ' SER . 51.1 mtpt -58.95 -41.49 87.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.011 -0.541 . . . . 75.31 110.718 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 26' ' ' ARG . 30.2 mmm180 -65.1 -30.06 70.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.421 -0.354 . . . . 73.42 111.448 -178.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -64.87 -45.78 84.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.972 0.415 . . . . 75.44 110.035 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -67.28 -41.18 85.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.978 -0.556 . . . . 63.24 111.229 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 37.0 mt-10 -66.18 -37.15 84.92 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.095 -0.242 . . . . 73.31 110.658 178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.897 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 32.5 t -62.54 -45.78 91.41 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.664 -0.495 . . . . 72.35 109.664 175.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.69 89.88 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.663 -0.699 . . . . 73.13 110.292 176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -58.37 -44.39 88.83 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.779 -0.646 . . . . 75.34 111.175 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.897 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 48.6 mtmt -53.71 -51.6 62.75 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 120.863 0.363 . . . . 74.23 111.538 -179.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -66.65 -35.0 79.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.244 -175.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -70.46 -40.62 77.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.252 0.549 . . . . 64.11 109.871 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 48.7 tttp -61.84 -26.24 68.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.214 -0.903 . . . . 64.32 110.894 175.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.38 -47.57 13.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.448 -0.342 . . . . 72.42 111.303 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -87.41 -48.33 8.05 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.691 0.626 . . . . 74.31 112.691 -173.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 75.0 m-85 -107.59 70.49 0.78 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.241 0.543 . . . . 74.24 110.929 -173.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 57.9 mtt180 -81.44 -36.19 29.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.535 -0.757 . . . . 72.42 112.268 -175.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -134.22 17.68 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 64.5 111.115 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.689 ' HD2' ' CD1' ' A' ' 39' ' ' PHE . 16.1 ttmm -86.74 118.54 26.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.499 -0.556 . . . . 71.02 109.499 175.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' A' ' 1' ' ' MET . 91.1 mt -62.66 157.56 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.538 -0.755 . . . . 71.35 111.445 -177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.6 tp -56.1 -31.91 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.375 -0.83 . . . . 65.33 110.653 176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -88.4 -9.28 53.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.813 -0.63 . . . . 71.04 111.284 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.3 10.09 39.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.412 0.625 . . . . 65.45 110.357 -172.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.613 HG13 ' HZ ' ' A' ' 79' ' ' PHE . 46.9 mm -77.25 96.53 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.731 -0.668 . . . . 74.31 110.32 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 3.8 ttmp? -70.53 129.92 40.5 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.933 -0.766 . . . . 63.45 108.933 175.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 49' ' ' ARG . 14.5 ptt180 -61.88 -26.44 68.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.839 0.352 . . . . 74.32 110.932 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.42 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 31.1 m -65.83 -38.57 89.26 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.392 -0.367 . . . . 65.33 110.307 174.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.738 ' HA ' ' HD2' ' A' ' 54' ' ' LYS . 48.7 mt-10 -71.13 -33.84 70.48 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.318 -0.401 . . . . 64.04 110.299 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE2' HG22 ' A' ' 93' ' ' THR . 72.6 t80 -67.81 -41.29 83.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 72.34 110.146 178.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -62.48 -39.77 94.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 75.34 110.068 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.738 ' HD2' ' HA ' ' A' ' 51' ' ' GLU . 59.5 mttm -56.76 -48.65 77.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.204 0.526 . . . . 73.13 110.07 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE2' HD21 ' A' ' 71' ' ' LEU . 85.2 t80 -56.03 -46.33 78.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.098 -0.955 . . . . 74.14 111.024 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.97 -40.87 95.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 74.34 111.671 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.4 m-20 -61.12 -44.27 97.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.702 0.287 . . . . 54.13 110.823 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -71.83 -34.17 69.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.995 0.426 . . . . 71.53 110.692 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.6 -38.23 73.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 73.33 110.103 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.43 -5.41 82.2 Favored Glycine 0 C--N 1.33 0.241 0 CA-C-N 115.967 -0.56 . . . . 72.44 112.713 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.672 HD23 ' HB2' ' A' ' 101' ' ' SER . 87.3 mt -91.1 -14.06 31.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.01 0.433 . . . . 74.21 110.497 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.2 p -120.64 -1.98 9.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.187 -0.461 . . . . 62.31 111.879 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 67' ' ' THR . 79.4 m80 -145.38 164.36 31.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.816 0.341 . . . . 64.01 111.174 -174.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.4 m -83.09 176.61 9.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.868 -0.605 . . . . 53.41 111.116 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -59.95 -42.32 93.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.706 -0.679 . . . . 72.32 111.612 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -60.94 -43.45 98.63 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 120.864 -0.334 . . . . 74.34 111.585 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.424 ' HB ' ' HB3' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -62.13 -45.56 92.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.0 -0.545 . . . . 75.32 111.039 -175.244 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 tt -73.99 -34.57 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.433 -0.349 . . . . 72.21 110.789 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -61.77 -50.09 73.77 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.024 0.44 . . . . 75.05 110.476 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 74' ' ' TYR . 43.3 mttt -64.58 -42.63 95.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.559 -0.746 . . . . 71.12 110.604 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD21 ' CE2' ' A' ' 55' ' ' PHE . 33.7 tp -52.65 -57.34 10.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 71.2 110.952 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -57.72 -40.2 79.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 74.03 111.203 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -61.54 -43.71 98.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 73.22 111.396 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 70' ' ' LYS . 7.3 m-85 -63.95 -46.27 85.46 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.463 0.649 . . . . 75.44 109.762 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.5 mt -65.06 -40.25 88.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 114.957 -1.019 . . . . 62.14 111.191 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HE ' ' HB ' ' A' ' 93' ' ' THR . 46.2 mtt180 -61.07 -47.72 85.05 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.681 -0.236 . . . . 72.45 111.015 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -60.16 -37.79 81.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.547 -0.297 . . . . 72.42 111.049 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.87 61.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.392 -0.367 . . . . 61.43 111.273 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.613 ' HZ ' HG13 ' A' ' 47' ' ' ILE . 25.3 m-85 -63.66 -43.26 97.23 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.705 0.288 . . . . 75.54 111.215 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.451 ' HA ' HD12 ' A' ' 83' ' ' ILE . 26.3 t70 -61.18 -34.25 74.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.151 -0.477 . . . . 62.12 111.036 -179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.599 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 34.5 t70 -73.78 -34.81 64.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.77 0.319 . . . . 71.01 110.536 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -61.59 -38.33 87.17 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.318 -0.623 . . . . 73.0 109.318 171.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 79' ' ' PHE . 84.4 mt -65.49 -32.7 59.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.571 -0.741 . . . . 71.33 110.978 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.599 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 54.5 m170 -55.14 -52.19 64.05 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.356 -0.384 . . . . 74.15 110.987 -178.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -84.83 -27.41 26.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.384 -0.371 . . . . 74.02 110.51 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.25 54.88 0.69 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.796 -0.716 . . . . 75.25 112.36 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.635 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -89.91 -70.12 0.68 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.981 0.42 . . . . 72.41 110.393 -179.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.89 177.06 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.842 -0.617 . . . . 64.31 111.471 -174.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.85 -57.96 9.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.591 -0.732 . . . . 75.11 110.055 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 90' ' ' LYS . 4.0 mmtp -163.62 -168.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.801 -0.636 . . . . 71.23 110.013 176.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -89.86 113.8 58.34 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.286 -0.416 . . . . 70.44 110.393 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -72.95 7.55 2.0 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.625 2.883 . . . . 63.11 113.349 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.484 HG22 ' CE2' ' A' ' 52' ' ' TYR . 76.3 p -91.89 16.47 10.89 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.021 0.439 . . . . 74.25 110.641 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -58.7 -51.76 68.57 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.617 -0.72 . . . . 71.44 109.997 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -101.99 81.41 2.11 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.666 -0.697 . . . . 72.23 109.318 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.88 4.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 51.41 110.856 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -118.77 152.57 35.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.896 0.379 . . . . 73.12 110.338 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 61.4 mt -88.86 70.53 8.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.014 -0.539 . . . . 72.22 109.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -86.02 65.61 9.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 64.32 111.014 -173.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.26 102.55 0.86 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.009 -0.541 . . . . 64.52 109.871 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.672 ' HB2' HD23 ' A' ' 61' ' ' LEU . 4.5 m -89.65 11.71 18.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 73.22 110.716 -173.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 103' ' ' LEU . 19.7 t -97.21 -14.97 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.631 -0.713 . . . . 63.54 110.318 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD12 ' HB ' ' A' ' 102' ' ' VAL . 6.0 mp -119.72 93.25 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 54.22 110.981 -176.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -146.59 94.11 2.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.837 -0.62 . . . . 74.51 110.136 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -118.86 -39.55 2.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.621 -0.511 . . . . 65.34 109.621 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -153.6 132.28 12.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 51.04 109.723 171.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -130.14 125.0 34.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.047 0.451 . . . . 73.13 110.263 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -123.37 147.44 47.06 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.005 -0.543 . . . . 71.21 110.703 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -130.03 130.88 45.51 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.88 -0.6 . . . . 75.03 110.131 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 65.0 m80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.439 -0.791 . . . . 63.53 109.955 178.136 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.291 -0.263 . . . . 73.13 110.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.614 HG22 ' HE2' ' A' ' 87' ' ' TYR . 14.9 tt -136.29 156.43 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.427 -0.351 . . . . 61.12 110.199 -178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 64.2 p -75.22 146.85 40.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.084 -0.339 . . . . 74.32 110.084 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.51 -36.17 81.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.505 -0.316 . . . . 73.01 111.245 -176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.25 9.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.898 0.38 . . . . 73.13 111.054 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.28 -35.03 79.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.002 -0.544 . . . . 54.1 110.521 -177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.34 -47.43 86.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.914 -0.585 . . . . 72.33 111.007 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.1 -49.27 78.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.006 -0.543 . . . . 74.53 111.006 -177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 58.8 t80 -65.58 -41.25 93.1 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.915 -0.314 . . . . 74.24 110.496 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.27 -47.22 85.29 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.231 -0.44 . . . . 61.31 110.205 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.593 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.9 t90 -55.96 -49.79 72.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.854 -0.612 . . . . 74.53 110.338 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.649 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.9 t80 -61.69 -48.34 81.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.091 -0.504 . . . . 75.52 111.898 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.751 ' HG3' HD22 ' A' ' 17' ' ' LEU . 45.4 tt0 -60.05 -34.57 73.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.823 0.344 . . . . 72.35 111.8 -174.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.3 t -88.04 -25.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.837 0.351 . . . . 73.15 111.536 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.593 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.2 m-20 -106.06 -37.87 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.312 0.856 . . . . 65.14 113.312 -167.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 73.5 mmtt -123.36 -17.26 6.61 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.49 0.552 . . . . 73.1 112.49 -171.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD22 ' HG3' ' A' ' 13' ' ' GLU . 25.1 tp -49.37 -58.95 7.49 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 113.339 0.866 . . . . 63.02 113.339 -171.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 4.2 Cg_endo -83.2 7.52 5.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.171 1.914 . . . . 74.05 112.564 -175.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.4 m-70 -109.83 -31.85 7.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 72.22 110.945 -175.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.657 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 33.2 m -92.89 158.79 2.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 52.1 111.389 -176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.9 p -78.26 166.51 22.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 61.52 110.215 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.56 -34.24 73.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 74.22 110.897 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.3 p -61.34 -39.84 92.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.22 -0.446 . . . . 74.05 110.605 175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.723 ' HA ' ' HD2' ' A' ' 27' ' ' HIS . 29.6 m -74.7 -33.63 62.46 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.023 -0.535 . . . . 75.42 110.266 177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.649 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 12.2 mtpp -55.51 -44.54 76.71 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.038 -0.528 . . . . 74.41 110.209 175.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -53.71 -45.31 70.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.421 -0.808 . . . . 65.43 111.263 177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.723 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -58.59 -52.33 66.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.776 0.322 . . . . 73.15 110.852 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -62.0 -48.88 78.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.996 -0.547 . . . . 73.31 111.56 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -69.23 -39.35 78.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.427 -0.352 . . . . 74.34 111.796 -174.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.9 m -64.78 -39.85 94.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.833 0.349 . . . . 73.33 110.184 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.56 -45.51 93.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.624 -0.51 . . . . 72.4 109.624 175.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 46.7 t80 -57.15 -35.22 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.316 -0.857 . . . . 74.25 111.288 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -43.04 95.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.598 0.237 . . . . 71.11 111.131 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -65.02 -35.97 82.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.114 0.483 . . . . 75.41 109.855 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 31' ' ' ALA . 89.6 mt -70.54 -45.12 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.87 -0.605 . . . . 71.32 110.672 -178.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -63.62 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.475 . . . . 74.44 110.947 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -83.17 -36.83 24.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 75.44 111.605 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -83.7 -57.19 3.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.072 0.463 . . . . 74.4 111.307 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.753 ' HD1' ' HD3' ' A' ' 42' ' ' LYS . 93.6 m-85 -89.81 50.06 1.83 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.921 -0.581 . . . . 62.42 111.183 -171.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -62.8 107.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.426 -0.806 . . . . 75.14 110.369 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.527 ' HA ' HG21 ' A' ' 3' ' ' THR . 6.4 m170 66.05 13.47 9.11 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.812 -0.631 . . . . 65.21 111.951 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.753 ' HD3' ' HD1' ' A' ' 39' ' ' PHE . 38.7 tttp -86.04 123.57 31.51 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 116.611 -0.268 . . . . 64.14 110.296 178.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 57.6 mt -72.03 151.9 42.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 71.44 110.274 -178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.608 ' HG ' HG21 ' A' ' 88' ' ' VAL . 2.5 pt? -71.04 -15.54 62.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.299 -0.41 . . . . 71.31 111.229 -177.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.72 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -97.39 11.55 36.25 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 54.44 112.153 -177.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' OD2' ' HB2' ' A' ' 43' ' ' LEU . 3.8 p30 -127.67 13.79 6.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.238 0.542 . . . . 70.45 109.97 170.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.448 HD12 ' CE1' ' A' ' 39' ' ' PHE . 34.2 mm -74.34 112.28 11.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.755 -0.657 . . . . 72.35 109.483 175.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -82.82 164.96 20.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.745 0.307 . . . . 61.32 110.285 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' HG2' ' HB3' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -68.61 -35.48 77.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.607 -0.516 . . . . 44.5 109.607 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.2 p -70.64 -38.61 73.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.273 -0.876 . . . . 75.22 111.181 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -64.62 -39.14 93.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.148 0.499 . . . . 72.24 110.266 175.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 93' ' ' THR . 33.3 t80 -69.44 -38.87 78.02 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 74.51 110.393 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -67.39 -40.06 85.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.966 -0.561 . . . . 74.34 111.32 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 15.5 ptpt -68.01 -29.34 68.32 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.003 0.43 . . . . 73.31 110.302 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 71' ' ' LEU . 89.5 t80 -65.16 -44.75 87.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.651 173.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.28 -39.29 92.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.875 -0.602 . . . . 63.51 110.983 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.72 -38.99 83.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 65.44 111.142 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.61 -41.25 63.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.189 0.519 . . . . 75.21 110.563 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -65.92 -33.78 76.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.962 -0.563 . . . . 75.31 110.398 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -75.77 -8.29 84.35 Favored Glycine 0 C--O 1.228 -0.238 0 CA-C-N 116.016 -0.538 . . . . 65.2 112.829 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 101' ' ' SER . 91.1 mt -91.15 -23.29 20.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.078 0.466 . . . . 70.12 110.595 175.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 12.4 p -104.27 -34.19 8.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.686 -0.688 . . . . 73.14 112.024 -174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -121.27 165.24 15.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.838 0.352 . . . . 73.43 111.241 -173.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.4 p -75.88 173.85 10.66 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.79 -0.641 . . . . 75.43 111.781 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.86 -47.14 84.63 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.546 . . . . 73.2 111.906 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 9.0 tt0 -61.5 -37.12 82.53 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.384 -0.526 . . . . 62.25 110.279 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 m -66.29 -46.27 77.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.579 -0.737 . . . . 61.14 110.871 -178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -71.15 -34.19 53.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.847 0.356 . . . . 61.24 110.585 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HA ' HD22 ' A' ' 98' ' ' LEU . 63.2 ttt180 -61.39 -44.76 96.6 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.067 0.46 . . . . 74.12 110.212 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 20.7 mtpt -69.65 -36.8 76.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.665 -0.698 . . . . 64.33 110.904 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 55' ' ' PHE . 22.7 tp -53.31 -52.87 57.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.032 0.444 . . . . 75.21 110.666 174.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -55.16 -41.27 71.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.452 -0.794 . . . . 53.31 110.489 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.0 t -63.21 -42.73 99.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.855 -0.611 . . . . 71.22 111.141 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -62.89 -52.94 61.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.116 0.484 . . . . 73.41 110.417 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.44 -43.98 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.567 -0.742 . . . . 75.2 111.361 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -61.58 -38.95 89.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.591 -0.277 . . . . 74.21 110.542 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -64.75 -40.5 95.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.98 0.419 . . . . 75.13 110.018 179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.48 90.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.026 -0.534 . . . . 52.44 111.221 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.07 -31.77 66.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.438 -0.346 . . . . 73.41 111.227 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 18.9 t70 -58.06 -34.67 70.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.464 175.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -76.43 -42.48 43.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.748 0.309 . . . . 74.43 110.573 176.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.77 -44.38 81.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.081 -0.509 . . . . 72.32 110.962 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.9 tt -74.31 -33.26 33.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.091 0.472 . . . . 71.2 110.365 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 31.9 t-80 -63.65 -31.93 73.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.596 -0.729 . . . . 74.22 109.779 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.36 -48.85 12.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.122 -0.944 . . . . 65.4 109.356 178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.2 12.72 11.66 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.069 -1.212 . . . . 75.3 110.069 -172.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.614 ' HE2' HG22 ' A' ' 2' ' ' ILE . 5.4 t80 -69.83 -37.56 76.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.661 -0.77 . . . . 75.14 109.721 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.72 HG22 ' HB3' ' A' ' 45' ' ' LYS . 47.1 t -132.83 131.56 59.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.222 -0.899 . . . . 61.11 108.656 173.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.54 -33.06 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 112.233 0.457 . . . . 70.13 112.233 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -141.08 139.54 34.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.398 . . . . 74.31 110.805 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 14.6 p-10 -94.51 138.88 22.23 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.932 -0.576 . . . . 70.34 111.103 -176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 36.4 Cg_exo -63.09 -19.66 69.42 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.719 2.946 . . . . 73.52 113.198 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.427 HG22 ' CE2' ' A' ' 52' ' ' TYR . 22.3 p -75.05 68.48 1.86 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.663 0.744 . . . . 52.32 110.557 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.601 ' HB3' ' HG2' ' A' ' 49' ' ' ARG . 64.1 t80 -106.9 -45.23 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.073 -0.967 . . . . 63.25 110.76 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -134.72 28.33 3.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.442 . . . . 74.55 110.786 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.04 134.99 55.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 75.13 111.793 -175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -116.53 137.04 52.48 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.486 -0.779 . . . . 72.41 110.528 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 69' ' ' ARG . 70.3 mt -76.45 97.01 4.18 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.935 -0.765 . . . . 72.1 108.935 171.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -113.78 90.6 3.38 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.109 -0.496 . . . . 60.23 110.967 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -105.07 124.79 50.14 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.131 -0.486 . . . . 40.52 110.03 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.653 ' HB3' HD23 ' A' ' 61' ' ' LEU . 38.2 t -103.66 9.29 37.33 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.231 0.538 . . . . 65.11 109.997 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 60' ' ' GLY . 38.1 t -81.6 80.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 74.41 109.921 178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.9 mt -97.2 110.66 23.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.713 -0.676 . . . . 71.53 109.635 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -60.6 -48.47 81.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.997 0.427 . . . . 64.52 111.114 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.42 96.29 9.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.053 -0.521 . . . . 71.33 110.437 -175.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -82.83 134.12 35.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.462 -0.336 . . . . 71.23 110.128 176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -73.37 -19.7 60.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.959 0.409 . . . . 74.33 110.445 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -155.43 176.52 12.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.958 -0.564 . . . . 74.44 110.343 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -92.53 159.2 15.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.162 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.337 -0.84 . . . . 72.35 109.509 178.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HB3' HD22 ' A' ' 43' ' ' LEU . 4.5 mmt . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 121.036 0.446 . . . . 73.34 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.616 HG21 ' HD1' ' A' ' 7' ' ' TYR . 14.5 tt -132.56 153.15 37.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.653 -0.703 . . . . 53.13 110.084 -176.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.623 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 40.6 p -70.47 148.86 47.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.272 -0.27 . . . . 73.44 110.272 177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.488 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 18.8 t80 -60.29 -38.68 84.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.74 0.305 . . . . 73.03 110.771 -177.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.35 -51.23 69.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.012 -0.54 . . . . 64.52 111.17 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -71.38 -33.28 69.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.6 -0.273 . . . . 62.03 111.111 -176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.616 ' HD1' HG21 ' A' ' 2' ' ' ILE . 49.5 t80 -63.59 -43.03 98.15 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.847 -0.427 . . . . 74.31 109.847 177.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.93 -44.82 95.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.613 -0.721 . . . . 73.5 110.294 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -65.11 -47.2 78.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.787 -0.642 . . . . 72.01 110.72 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -59.21 -51.56 69.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.006 -0.543 . . . . 73.31 110.153 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -52.35 -45.39 65.67 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.217 -0.901 . . . . 71.15 110.952 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.646 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 11.2 t80 -65.7 -58.07 6.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.915 -0.584 . . . . 72.33 111.693 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -60.13 -38.17 82.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 75.33 111.933 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -75.69 -21.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.109 0.411 . . . . 64.41 112.109 -175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -124.52 -55.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.501 0.926 . . . . 72.21 113.501 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.4 mmtt -80.57 -12.07 59.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.273 0.472 . . . . 63.54 112.273 -167.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 46.1 tp -47.35 -55.41 16.29 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.391 0.885 . . . . 64.53 113.391 -172.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 88.8 Cg_endo -80.99 8.05 4.56 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.79 1.66 . . . . 70.42 113.559 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -119.82 -1.22 10.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.673 0.273 . . . . 63.32 111.343 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.788 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 32.9 m -113.13 159.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.926 0.394 . . . . 73.21 111.294 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.451 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 89.2 p -97.05 177.09 5.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.195 -0.669 . . . . 73.1 109.195 174.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.68 -32.09 73.46 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.701 -0.481 . . . . 72.34 109.701 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.6 t -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.792 -0.64 . . . . 72.42 109.393 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.788 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 3.1 m -62.64 -40.11 95.99 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.209 -0.451 . . . . 50.33 110.317 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.646 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 97.6 mttt -56.8 -51.03 70.55 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.242 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -58.82 -33.72 70.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.859 -0.61 . . . . 71.01 111.542 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 24' ' ' THR . 54.1 m-70 -59.75 -51.44 69.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 71.54 110.389 172.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -61.03 -43.77 98.4 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.118 -0.492 . . . . 72.33 111.252 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.12 -44.06 97.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.731 0.3 . . . . 64.11 110.952 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.919 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 50.6 m -62.31 -43.26 99.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 74.43 110.48 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.41 -53.11 61.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 74.32 110.318 175.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -56.24 -44.71 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.45 -0.796 . . . . 71.21 111.975 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.919 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 65.1 pttt -71.69 -31.89 67.25 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 121.08 -0.248 . . . . 74.01 111.589 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 47.5 m-70 -75.73 -33.14 60.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.851 0.358 . . . . 74.33 110.491 175.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.9 mt -63.06 -51.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 63.13 110.69 176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 33' ' ' LYS . 18.7 ptpt -65.42 -27.28 68.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.652 0.263 . . . . 74.13 110.792 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 11.7 t70 -58.5 -47.85 82.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.22 -0.445 . . . . 64.4 110.766 176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -86.78 -46.61 9.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.035 -0.53 . . . . 75.32 111.702 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.661 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 77.0 m-85 -98.69 67.08 1.7 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.281 0.562 . . . . 74.02 111.56 -173.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -71.52 115.67 10.96 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.725 -0.671 . . . . 75.43 110.629 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 m170 61.22 19.11 9.78 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.226 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.661 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -93.49 116.27 28.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.116 0.484 . . . . 64.1 111.252 -171.638 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 61.1 mt -60.7 145.7 48.39 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.349 -0.842 . . . . 74.34 109.834 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.852 ' HA ' HD13 ' A' ' 47' ' ' ILE . 2.5 pt? -67.13 -14.64 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 74.52 111.23 -175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -76.23 -15.58 60.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.905 0.383 . . . . 74.2 110.68 176.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 10.7 t70 -95.19 -5.32 44.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.288 0.566 . . . . 75.4 110.078 -177.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.852 HD13 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mp -84.68 103.23 11.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 71.13 109.661 176.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HB2' ' OE1' ' A' ' 51' ' ' GLU . 10.4 mtmp? -95.16 150.67 19.95 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.328 -0.619 . . . . 73.42 109.328 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.628 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 2.9 ptp180 -56.35 -24.68 45.75 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.537 0.569 . . . . 70.1 112.537 -174.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.0 p -70.13 -39.48 75.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.422 -0.354 . . . . 61.42 111.403 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' OE1' ' HB2' ' A' ' 48' ' ' LYS . 3.6 mp0 -76.2 -32.17 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.191 0.52 . . . . 41.04 109.773 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' CE1' HG21 ' A' ' 75' ' ' ILE . 44.2 t80 -60.54 -40.34 91.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.544 -0.753 . . . . 73.23 110.547 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -63.3 -37.71 88.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 65.13 110.367 177.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -63.22 -38.75 92.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.022 0.439 . . . . 73.1 110.292 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HD21 ' A' ' 71' ' ' LEU . 75.3 t80 -62.02 -50.78 70.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.758 -0.655 . . . . 64.14 110.384 176.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 ' HB3' HD11 ' A' ' 68' ' ' ILE . 87.0 mt -62.35 -33.63 75.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.954 -0.566 . . . . 73.23 110.781 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -58.73 -53.45 58.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 61.43 110.363 -178.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -64.31 -39.47 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.177 0.513 . . . . 70.51 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -69.63 -38.6 77.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.909 -0.587 . . . . 73.25 110.69 -177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.21 -12.91 84.16 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 116.112 -0.495 . . . . 63.2 112.834 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.0 mt -86.81 -15.98 37.59 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.919 0.39 . . . . 73.15 110.484 176.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.7 p -115.03 -20.43 10.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.947 -0.57 . . . . 62.02 112.492 -173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -123.5 170.57 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.892 0.377 . . . . 62.31 111.539 -174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 m -72.26 164.77 25.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.65 -0.705 . . . . 60.44 110.831 -178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -62.82 -46.69 86.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 54.14 111.373 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 69' ' ' ARG . 25.6 tt0 -69.55 -28.21 65.8 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.711 -0.396 . . . . 63.42 110.699 -176.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.1 m -63.41 -48.86 76.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 74.25 110.584 177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.4 tt -73.68 -34.56 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-O 120.99 0.424 . . . . 65.32 110.411 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HA ' HD13 ' A' ' 98' ' ' LEU . 63.2 ttt180 -57.76 -49.63 75.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.538 . . . . 74.32 110.736 176.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.5 ttmt -69.87 -35.9 75.05 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.786 -0.643 . . . . 72.35 110.105 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.457 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.4 tp -55.78 -52.56 63.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.846 -0.616 . . . . 75.4 110.666 173.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -56.12 -39.68 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 73.51 110.784 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 t -62.45 -42.61 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 60.55 110.454 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 22.6 m-85 -59.56 -54.04 51.11 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.214 0.53 . . . . 74.13 110.443 176.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.488 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 77.2 mt -63.88 -43.43 97.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.402 -0.817 . . . . 55.34 111.753 -175.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.794 ' HB3' HG21 ' A' ' 93' ' ' THR . 3.8 ptm180 -63.92 -36.98 85.72 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.763 -0.375 . . . . 75.24 110.511 -179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.35 -31.5 63.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.818 0.342 . . . . 73.41 110.385 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.72 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.518 . . . . 60.23 110.347 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -74.45 -30.81 62.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.04 -0.527 . . . . 75.53 110.8 174.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.564 ' HA ' HG22 ' A' ' 83' ' ' ILE . 15.1 t70 -60.14 -33.06 71.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.394 0.616 . . . . 75.32 109.498 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.5 -48.34 70.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.359 -0.837 . . . . 72.43 110.059 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -65.56 -38.56 89.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.596 -0.729 . . . . 71.32 112.107 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' HA ' ' A' ' 80' ' ' ASP . 11.0 tt -73.47 -33.5 40.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 71.11 110.932 -179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -61.88 -28.88 69.82 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.426 0.631 . . . . 75.21 109.609 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -89.67 -48.46 7.27 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.079 -0.964 . . . . 52.53 109.868 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.96 37.93 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 110.417 -1.073 . . . . 73.22 110.417 -173.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.464 ' OH ' ' HA ' ' A' ' 1' ' ' MET . 28.2 t80 -86.19 -46.55 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.973 -0.613 . . . . 75.41 111.433 -173.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.718 HG11 ' HG ' ' A' ' 44' ' ' LEU . 17.9 m -135.86 -158.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 70.22 110.64 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.2 pt -61.57 168.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.18 -0.464 . . . . 64.34 111.559 178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -56.91 -67.6 0.3 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.688 -0.687 . . . . 71.52 111.588 -175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -171.68 139.41 1.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.527 -0.306 . . . . 71.41 110.412 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.628 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 87.3 Cg_endo -79.39 -16.27 12.12 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.709 2.273 . . . . 75.21 112.764 178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.794 HG21 ' HB3' ' A' ' 76' ' ' ARG . 69.9 p -77.21 0.21 22.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.325 0.583 . . . . 64.51 110.791 -177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.37 -35.67 76.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 72.41 111.157 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.548 ' HG2' ' HD3' ' A' ' 49' ' ' ARG . 71.3 mmtt -120.12 28.89 7.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.453 -179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -100.37 153.74 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.086 0.469 . . . . 75.41 111.37 -177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' CD ' ' HD1' ' A' ' 99' ' ' HIS . 43.0 tt0 -145.38 144.28 30.58 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.48 -0.782 . . . . 72.55 109.792 176.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 69' ' ' ARG . 79.0 mt -104.54 36.55 2.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.197 -0.456 . . . . 74.3 112.082 -172.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.423 ' HD1' ' CD ' ' A' ' 97' ' ' GLU . 1.5 m80 -77.91 92.2 4.25 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.647 -0.421 . . . . 73.44 110.985 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.68 110.55 8.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.779 -0.646 . . . . 31.5 110.041 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 61' ' ' LEU . 24.5 m -85.01 25.94 0.91 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.933 0.397 . . . . 63.33 111.35 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 57.5 t -69.29 -32.76 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.057 0.456 . . . . 75.32 110.352 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 84.4 mt -121.95 151.08 41.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.063 -0.517 . . . . 73.13 110.096 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -87.18 129.48 34.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.284 0.564 . . . . 74.45 110.599 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -97.5 -23.91 15.82 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.427 -0.806 . . . . 75.34 110.149 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -90.11 97.43 11.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.23 -0.441 . . . . 72.33 110.09 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -102.1 155.62 18.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.305 -0.407 . . . . 61.53 111.251 -177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -170.29 138.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.709 -0.678 . . . . 72.13 109.68 178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -86.37 -27.83 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.08 0.467 . . . . 73.42 110.218 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.43 -0.795 . . . . 74.11 109.459 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HD13 ' A' ' 43' ' ' LEU . 11.1 mmt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.749 -0.463 . . . . 75.31 109.749 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.529 HG22 ' OH ' ' A' ' 87' ' ' TYR . 11.0 tp -83.63 144.06 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.155 0.503 . . . . 74.33 110.189 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -76.45 150.82 36.66 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.747 -0.661 . . . . 61.25 111.031 179.006 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.486 ' HD1' HD12 ' A' ' 44' ' ' LEU . 17.8 t80 -58.09 -46.87 84.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 70.02 111.355 -175.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.95 74.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.973 0.416 . . . . 31.31 111.212 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.09 -44.99 95.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 61.13 110.951 -178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' HD1' HG21 ' A' ' 2' ' ' ILE . 63.9 t80 -61.8 -47.22 86.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.46 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.63 -52.78 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 72.1 111.609 -175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -71.79 -38.55 70.26 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.205 -0.598 . . . . 72.12 111.183 -175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -63.71 -44.39 93.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.126 0.489 . . . . 73.45 110.006 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -52.71 -45.11 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.377 -0.829 . . . . 73.13 110.143 174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.572 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 17.6 t80 -66.24 -49.11 68.32 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.431 -0.804 . . . . 74.55 111.229 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.882 ' HG3' HD22 ' A' ' 17' ' ' LEU . 42.8 tt0 -57.2 -47.84 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 73.22 111.934 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.85 -28.33 42.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.534 -0.303 . . . . 74.13 111.582 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB2' ' HD2' ' A' ' 16' ' ' LYS . 48.5 m-80 -111.52 -67.22 1.01 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.785 0.661 . . . . 63.31 112.785 -169.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 3.0 mptp? -88.57 -26.08 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.367 0.506 . . . . 61.34 112.367 -169.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.882 HD22 ' HG3' ' A' ' 13' ' ' GLU . 15.3 tp -42.75 -59.51 2.91 Favored Pre-proline 0 N--CA 1.47 0.572 0 N-CA-C 114.05 1.13 . . . . 73.32 114.05 -171.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 14.7 Cg_endo -87.83 15.02 2.21 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.129 1.886 . . . . 64.1 113.303 -171.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -124.39 0.95 8.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.955 0.407 . . . . 74.44 110.717 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 14.1 m -121.48 153.3 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.113 -0.494 . . . . 73.25 110.451 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.2 m -93.77 178.22 5.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 62.32 110.073 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.4 mm-40 -49.66 -37.59 29.05 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 123.269 0.355 . . . . 73.02 111.411 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -50.73 -50.32 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.93 0.395 . . . . 54.12 111.31 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.651 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 4.1 m -78.24 -33.47 49.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.223 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 8.6 mtpm? -63.17 -41.04 99.17 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.973 -0.558 . . . . 54.4 111.437 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 99.8 mtt180 -54.06 -37.76 64.53 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.112 0.258 . . . . 75.24 111.255 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -72.48 -44.94 61.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.358 -0.383 . . . . 71.14 110.508 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.27 -44.47 87.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.607 -0.27 . . . . 74.22 111.584 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -61.25 -42.68 99.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.86 0.362 . . . . 63.05 110.278 178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 11.2 t -68.42 -36.6 79.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 70.41 110.185 179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.83 -51.17 68.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 73.15 110.162 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.488 -0.778 . . . . 75.31 111.721 -177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 22.3 ptmt -64.31 -38.7 91.97 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.597 -0.441 . . . . 54.53 111.173 -177.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HD2' ' O ' ' A' ' 30' ' ' SER . 82.1 m-70 -73.53 -39.44 64.76 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.958 -0.297 . . . . 64.32 110.723 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.2 mt -60.18 -49.46 84.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.271 0 CA-C-O 120.757 0.313 . . . . 71.11 110.227 175.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 25.1 ttmt -59.83 -29.56 68.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 74.34 111.213 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -77.32 -44.86 28.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.044 -0.525 . . . . 74.24 111.502 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -88.0 -42.59 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 74.51 111.575 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -114.25 90.26 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.373 0.606 . . . . 44.32 109.66 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 38.3 mtp85 -91.76 -50.25 5.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.389 -0.823 . . . . 73.25 111.109 -171.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -120.2 14.07 12.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 73.23 110.839 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -78.05 132.1 37.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 74.3 109.433 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 77.9 mt -71.61 162.36 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.633 -0.258 . . . . 74.11 110.386 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.486 HD12 ' HD1' ' A' ' 4' ' ' PHE . 40.6 tp -61.02 -52.89 63.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.27 0.557 . . . . 72.11 110.92 -176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -74.24 -7.25 52.08 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.643 -0.708 . . . . 74.33 110.945 -178.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.813 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 1.8 t70 -99.22 12.55 35.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.749 -0.66 . . . . 63.02 110.596 -169.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 51.7 mm -83.08 112.13 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.024 -0.535 . . . . 71.33 110.209 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -75.18 129.52 37.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.385 -0.371 . . . . 60.34 110.511 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -53.39 -31.27 44.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.405 -0.816 . . . . 64.21 111.758 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 53' ' ' GLN . 4.1 p -70.37 -43.77 69.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.246 -0.434 . . . . 74.04 111.078 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.639 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 26.2 mm-40 -66.91 -33.89 76.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.276 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -62.9 -34.82 78.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.621 -0.718 . . . . 75.24 110.281 177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 50' ' ' THR . 6.6 tp-100 -55.91 -45.02 78.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.572 175.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.639 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.26 -46.2 81.44 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.625 -0.261 . . . . 75.2 110.628 178.125 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 71' ' ' LEU . 72.4 t80 -54.47 -39.6 67.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.277 -0.419 . . . . 70.55 110.734 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD12 ' HB1' ' A' ' 96' ' ' ALA . 73.8 mt -74.07 -43.76 56.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.099 -0.5 . . . . 62.55 111.766 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 p30 -73.08 -24.83 60.72 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.426 -0.51 . . . . 74.54 111.557 -176.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.04 -35.36 59.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.411 0.624 . . . . 63.22 109.64 173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -75.21 -36.16 61.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.613 -0.722 . . . . 75.44 110.549 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.33 -3.54 77.2 Favored Glycine 0 CA--C 1.518 0.279 0 CA-C-N 115.995 -0.548 . . . . 71.52 113.678 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 94.1 mt -90.17 -34.34 15.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.02 0.438 . . . . 74.41 110.112 174.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.9 p -90.99 -38.46 12.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.363 0.601 . . . . 71.1 111.108 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -115.26 143.76 44.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 72.52 109.648 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.5 t -77.46 -178.98 5.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 61.43 111.351 -175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.491 ' HA ' HG22 ' A' ' 68' ' ' ILE . 78.9 t80 -57.57 -41.37 80.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.471 -0.786 . . . . 75.34 111.917 -174.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.49 -45.19 92.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.889 0.376 . . . . 70.15 111.242 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.3 m -72.36 -41.82 65.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.139 -0.482 . . . . 75.51 111.408 -177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 65' ' ' TYR . 13.0 tt -67.0 -33.98 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 110.068 -0.345 . . . . 53.42 110.068 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -60.07 -46.4 89.69 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.008 0.433 . . . . 72.41 110.069 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -58.26 -50.31 74.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.774 -0.648 . . . . 61.41 110.472 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 55' ' ' PHE . 47.1 tp -52.41 -53.29 47.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.812 -0.631 . . . . 74.14 111.066 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.81 -38.32 84.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 60.53 110.831 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.0 t -62.74 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 73.41 111.089 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -65.31 -48.5 72.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.98 0.419 . . . . 71.54 110.011 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.81 -48.18 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.683 -0.69 . . . . 75.34 111.082 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 76' ' ' ARG . 22.3 ttt180 -66.5 -33.45 75.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.273 -0.421 . . . . 42.34 110.973 -177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.85 -40.04 76.03 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.248 -0.279 . . . . 44.15 110.248 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.57 -43.64 97.09 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 64.51 110.689 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -67.19 -36.62 82.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 72.42 111.033 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 24.2 t70 -62.29 -41.85 98.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.668 -0.242 . . . . 64.34 110.63 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -64.01 -39.42 94.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.94 0.4 . . . . 53.15 110.494 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.54 -48.56 60.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.549 . . . . 71.24 111.296 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 80' ' ' ASP . 15.0 tt -65.69 -31.12 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.853 0.358 . . . . 74.23 110.239 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 4.3 t-80 -59.03 -28.48 66.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.443 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -92.93 -16.14 25.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.861 -0.609 . . . . 73.32 110.555 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.01 11.91 58.26 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.986 -0.626 . . . . 34.21 111.809 -176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.529 ' OH ' HG22 ' A' ' 2' ' ' ILE . 22.8 t80 -71.61 -36.78 70.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.772 0.32 . . . . 74.24 111.302 -176.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.517 HG12 ' HB3' ' A' ' 45' ' ' LYS . 27.7 m -115.65 145.8 20.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.762 0.315 . . . . 75.04 110.371 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.2 tp -79.39 -50.69 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.186 -0.461 . . . . 63.13 111.429 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -142.29 159.09 42.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.769 -0.456 . . . . 74.24 109.769 178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -96.11 143.54 26.3 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.247 -0.433 . . . . 53.42 110.875 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.71 -17.26 37.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.898 2.399 . . . . 61.0 112.594 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.3 p -75.39 76.08 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.432 0.634 . . . . 73.33 110.084 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -143.48 -62.44 0.4 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.151 -0.931 . . . . 70.32 109.934 -175.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -96.15 25.23 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.772 0.796 . . . . 75.23 109.555 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.537 ' HB1' HD12 ' A' ' 56' ' ' LEU . . . -135.75 145.09 46.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.047 -0.979 . . . . 72.02 110.163 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 99' ' ' HIS . 8.9 pt-20 -135.58 170.27 16.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 75.12 110.32 -177.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.38 70.22 7.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.235 0.541 . . . . 44.42 109.865 176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.46 ' HB2' ' HG3' ' A' ' 97' ' ' GLU . 7.9 t60 -93.55 65.78 3.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.746 -0.661 . . . . 62.42 110.266 -176.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.5 168.73 19.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.952 -0.567 . . . . 32.41 109.925 177.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -145.39 -64.57 0.33 Allowed 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.929 -0.309 . . . . 72.12 111.061 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t 52.15 67.32 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 122.115 0.96 . . . . 54.24 109.943 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.6 mt -118.08 -158.12 0.7 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.065 -0.971 . . . . 63.42 109.796 -176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -101.48 159.91 14.88 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.601 -0.518 . . . . 63.41 109.601 175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -128.21 29.85 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.404 0.621 . . . . 73.43 109.961 171.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -100.97 -49.13 4.21 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.26 -0.882 . . . . 73.34 110.354 170.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -65.2 -42.87 93.14 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.542 -0.54 . . . . 71.2 109.542 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -104.96 94.58 5.33 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.522 -1.288 . . . . 71.55 107.522 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -63.81 155.91 28.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.656 -0.702 . . . . 73.04 112.683 -167.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.039 -0.982 . . . . 70.11 108.742 174.571 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' SD ' ' HE2' ' A' ' 45' ' ' LYS . 6.2 mmt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 120.98 0.419 . . . . 62.43 110.457 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.2 tt -90.48 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.889 -0.596 . . . . 72.42 110.804 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.455 HG21 ' HB2' ' A' ' 41' ' ' HIS . 0.8 OUTLIER -70.52 141.31 51.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.842 -0.617 . . . . 62.33 110.857 176.16 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -59.85 -41.51 91.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 73.45 111.766 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.72 -50.07 73.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.147 0.499 . . . . 62.43 110.83 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.6 -38.91 81.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.704 -0.68 . . . . 72.12 110.6 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -59.82 -46.53 88.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 72.23 110.837 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -58.91 -49.23 78.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.912 -178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.28 -39.28 92.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.37 . . . . 74.25 110.554 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -66.33 -47.59 73.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.421 -0.354 . . . . 73.45 110.418 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -53.96 -41.3 67.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.811 -0.631 . . . . 74.22 110.092 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.498 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 31.3 t80 -65.15 -57.95 7.26 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.942 -0.572 . . . . 73.25 110.707 176.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.54 -41.87 63.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.561 0.538 . . . . 53.15 112.24 -175.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.72 -36.19 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.581 -0.282 . . . . 54.41 111.512 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -96.19 -59.01 1.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.825 0.345 . . . . 62.54 111.594 -172.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 107.25 16.91 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.34 -0.615 . . . . 53.32 109.34 -177.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.923 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 27.4 tp -151.4 -61.95 0.02 OUTLIER Pre-proline 0 C--N 1.315 -0.891 0 C-N-CA 120.128 -0.629 . . . . 63.25 111.047 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.923 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 2.2 Cg_endo -85.13 -3.78 9.58 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.904 1.736 . . . . 73.42 111.426 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -104.22 -1.16 27.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.773 -0.649 . . . . 50.13 111.327 -173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.98 165.63 21.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.503 -0.317 . . . . 73.33 110.787 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 m -90.82 166.09 13.28 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.138 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 14.5 pt-20 -61.06 -29.21 69.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.622 -0.263 . . . . 71.22 110.635 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.1 p -60.59 -43.42 97.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.198 0.523 . . . . 73.33 110.194 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.4 m -64.2 -37.41 87.38 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.647 -0.706 . . . . 72.41 110.152 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 7.5 mtpm? -61.36 -44.51 97.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 73.2 110.078 176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 79.7 mtt180 -58.99 -37.86 77.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 73.21 111.041 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -60.92 -54.02 50.12 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.918 0.39 . . . . 73.31 110.881 175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -62.67 -40.64 97.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 75.3 111.645 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -68.92 -36.35 77.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.455 0.169 . . . . 71.13 111.163 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.645 ' HA ' ' HE2' ' A' ' 33' ' ' LYS . 66.8 m -65.58 -39.06 91.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.412 . . . . 62.14 109.925 174.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -61.81 -51.22 69.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.795 -0.639 . . . . 55.13 110.024 174.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -56.31 -44.1 79.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.166 -0.925 . . . . 75.3 112.166 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' ' 30' ' ' SER . 63.8 pttt -69.99 -32.25 70.35 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.838 -0.345 . . . . 74.3 111.147 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -75.92 -32.6 59.68 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.881 0.372 . . . . 74.34 110.393 175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.1 mt -63.06 -47.15 94.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.515 -0.55 . . . . 70.13 109.515 173.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 40.3 ttmt -64.06 -28.06 69.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 70.52 110.639 176.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -69.98 -42.95 72.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.874 -0.603 . . . . 75.23 111.178 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -87.32 -48.38 8.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 74.02 111.22 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -114.66 82.35 1.71 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.459 -0.571 . . . . 73.52 109.459 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 24.7 mtm180 -59.43 -39.6 84.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 73.21 111.807 -173.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' HB2' HG21 ' A' ' 3' ' ' THR . 0.6 OUTLIER -156.24 57.76 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.876 0.846 . . . . 61.22 110.306 174.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.571 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -89.79 142.59 27.55 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 72.31 108.6 177.097 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.849 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 90.5 mt -68.71 160.46 30.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.661 0.267 . . . . 64.12 110.862 -178.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.8 -43.04 90.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.329 -0.396 . . . . 42.03 111.455 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.513 ' HE2' ' SD ' ' A' ' 1' ' ' MET . 39.9 pttt -93.6 14.58 18.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.084 0.469 . . . . 74.43 110.435 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.849 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 34.1 t0 -106.99 6.36 29.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.618 0.723 . . . . 65.42 109.962 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.571 HD13 ' HG2' ' A' ' 42' ' ' LYS . 27.0 mm -92.97 109.89 22.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.334 -0.848 . . . . 73.41 110.156 178.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.928 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 88.8 mttt -74.77 149.97 39.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.43 -0.35 . . . . 72.53 110.537 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 92' ' ' PRO . 12.3 ptt180 -66.71 -33.83 76.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.972 0.415 . . . . 74.23 110.545 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 12.7 p -70.88 -33.82 70.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 53.21 111.404 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.928 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 10.1 mm-40 -68.7 -37.3 79.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.406 0.622 . . . . 75.12 109.42 177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.45 -35.7 80.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.203 -0.908 . . . . 70.45 110.33 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 HE22 ' HG2' ' A' ' 97' ' ' GLU . 7.8 tp-100 -60.81 -44.09 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 71.41 110.371 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' THR . 50.3 mttm -64.44 -37.91 89.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.238 0.542 . . . . 72.01 110.276 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CE2' HD21 ' A' ' 71' ' ' LEU . 77.9 t80 -63.44 -49.12 74.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.413 -0.812 . . . . 63.41 110.551 178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.91 -39.83 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 72.13 110.872 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 14.8 t-20 -57.51 -50.06 74.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.024 -0.535 . . . . 73.44 110.59 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -67.28 -39.43 86.04 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.074 -0.512 . . . . 63.52 111.156 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -66.65 -35.11 79.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.483 . . . . 65.13 110.544 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -76.72 -12.0 84.85 Favored Glycine 0 CA--C 1.52 0.348 0 C-N-CA 121.077 -0.583 . . . . 33.42 112.61 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 91.4 mt -90.48 -14.59 32.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.893 0.378 . . . . 61.44 110.485 176.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -114.4 -25.33 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.516 . . . . 43.31 112.257 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -127.42 159.88 33.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.632 0.253 . . . . 62.43 110.805 -175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.7 m -67.76 165.97 16.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 33.33 111.943 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.507 ' HB2' HD11 ' A' ' 103' ' ' LEU . 84.1 t80 -59.37 -43.65 92.85 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.529 -0.759 . . . . 74.13 111.992 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 16.9 mt-10 -70.25 -28.29 65.12 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.2 -0.6 . . . . 75.34 111.243 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 m -66.99 -48.29 68.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.325 -0.398 . . . . 73.42 110.227 178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG21 ' HB2' ' A' ' 100' ' ' ALA . 9.6 tt -71.38 -34.65 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.566 177.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -64.37 -44.2 92.13 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 110.142 -0.318 . . . . 62.43 110.142 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -61.5 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.505 -0.554 . . . . 54.21 109.505 177.238 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 55' ' ' PHE . 28.2 tp -52.82 -54.82 28.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.658 -0.701 . . . . 65.33 111.061 175.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.413 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 63.9 t30 -56.24 -40.16 73.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.471 -0.786 . . . . 52.23 110.489 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 m -63.34 -40.97 98.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.116 -0.493 . . . . 73.45 110.87 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -64.67 -49.1 72.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.95 0.405 . . . . 75.41 110.803 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.71 -40.41 86.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.837 -0.619 . . . . 63.02 111.204 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.563 ' HA ' HG21 ' A' ' 93' ' ' THR . 19.6 mtp180 -62.42 -44.24 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.254 -0.276 . . . . 64.31 110.254 175.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.72 -35.17 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 62.42 110.587 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.19 -52.76 15.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.04 -0.527 . . . . 53.43 111.458 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -66.64 -34.06 77.04 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.63 -0.259 . . . . 71.42 111.37 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.579 ' O ' HG22 ' A' ' 83' ' ' ILE . 26.4 t70 -64.81 -37.33 87.27 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.841 -0.429 . . . . 65.41 109.841 177.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.666 ' HA ' ' ND1' ' A' ' 84' ' ' HIS . 27.9 t0 -71.03 -34.22 71.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.054 0.454 . . . . 73.24 110.304 177.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -66.41 -43.89 84.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.02 -0.536 . . . . 74.12 110.876 176.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG22 ' O ' ' A' ' 80' ' ' ASP . 12.0 tt -65.59 -28.66 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.401 -0.363 . . . . 71.52 110.797 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.666 ' ND1' ' HA ' ' A' ' 81' ' ' ASP . 40.0 m170 -54.12 -34.51 60.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.137 0.494 . . . . 63.21 110.019 175.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -94.04 -15.63 24.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.802 -0.635 . . . . 64.41 111.019 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.35 19.44 60.5 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.952 -0.859 . . . . 50.13 110.952 -172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -61.82 -37.85 85.94 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.143 0.496 . . . . 72.33 109.99 -178.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.52 162.55 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 74.04 110.789 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG13 ' HG3' ' A' ' 90' ' ' LYS . 7.8 tp -139.8 141.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 108.803 -0.814 . . . . 62.23 108.803 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.488 ' HG3' HG13 ' A' ' 89' ' ' ILE . 59.2 mttp 58.82 44.89 16.22 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.284 0.564 . . . . 71.34 109.79 -175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -59.0 148.68 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.074 -0.967 . . . . 73.13 111.862 -175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 49' ' ' ARG . 18.5 Cg_endo -59.09 -25.73 79.01 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.401 2.734 . . . . 75.33 113.508 -175.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 76' ' ' ARG . 23.3 p -79.46 6.16 10.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.092 0.473 . . . . 73.04 111.305 -178.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -59.97 -44.44 94.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.525 -0.761 . . . . 75.23 110.262 175.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -131.17 98.22 4.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 73.33 110.17 176.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -131.58 136.46 47.81 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.754 -0.657 . . . . 74.23 110.728 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' HG2' HE22 ' A' ' 53' ' ' GLN . 9.7 pt-20 -137.29 153.75 50.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.034 -0.53 . . . . 73.24 109.917 177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 87.0 mt -99.04 96.13 7.6 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 71.11 111.033 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -95.65 80.74 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.015 -0.539 . . . . 64.2 109.928 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 68' ' ' ILE . . . -108.04 108.99 20.33 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.159 -0.473 . . . . 72.21 110.718 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 52.6 m -85.72 -7.76 58.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.28 0.562 . . . . 71.45 109.878 177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 60' ' ' GLY . 12.3 t -83.84 74.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 74.43 110.241 178.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' A' ' 65' ' ' TYR . 35.3 mt -150.18 103.47 3.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.33 -0.85 . . . . 65.13 110.142 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -103.94 146.1 29.16 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.887 -0.412 . . . . 74.31 109.887 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -99.25 -34.15 10.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.285 -0.416 . . . . 71.13 111.557 -171.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -145.89 145.98 30.92 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.495 -0.482 . . . . 73.03 110.535 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -77.22 124.62 28.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.104 0.478 . . . . 71.42 110.611 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -135.0 121.59 20.66 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.207 -0.664 . . . . 75.22 109.207 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -133.98 118.11 17.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.894 0.378 . . . . 74.03 110.575 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 58.9 t60 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.617 -0.706 . . . . 65.41 110.041 178.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.691 ' SD ' ' HD3' ' A' ' 45' ' ' LYS . 77.0 mtm . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.969 0.414 . . . . 73.24 110.571 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.8 tt -98.17 155.28 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.679 -0.691 . . . . 72.31 110.571 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.666 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 34.1 p -63.47 142.69 58.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.486 -0.324 . . . . 74.43 110.461 173.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -60.56 -43.13 97.62 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.099 0.249 . . . . 72.44 111.642 -176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -56.19 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.301 . . . . 35.5 111.213 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' GLN . 34.7 t70 -63.37 -34.61 78.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.991 -0.549 . . . . 72.4 110.55 -177.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.486 ' HB2' HG23 ' A' ' 2' ' ' ILE . 82.2 t80 -64.9 -44.42 89.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.952 177.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -58.7 -49.02 79.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 73.34 111.021 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -70.31 -38.31 74.93 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.772 -0.371 . . . . 60.23 110.198 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 5.3 tp-100 -59.63 -48.88 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.558 -0.534 . . . . 74.22 109.558 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.79 -43.82 81.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.188 -0.914 . . . . 72.1 110.846 176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.506 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 29.3 t80 -60.66 -48.41 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.98 -0.554 . . . . 72.12 111.022 178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.602 ' HG2' HD22 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -57.69 -45.15 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 72.32 110.55 -179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.01 -32.17 55.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.012 -0.54 . . . . 74.24 111.62 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 28.5 m-80 -108.39 -73.83 0.68 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 113.388 0.884 . . . . 70.23 113.388 -168.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 66.5 mmtt -83.72 -14.56 51.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.663 0.616 . . . . 72.14 112.663 -166.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 13' ' ' GLU . 23.9 tp -51.21 -53.29 50.45 Favored Pre-proline 0 CA--C 1.541 0.632 0 N-CA-C 112.782 0.66 . . . . 71.11 112.782 -176.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 74.1 Cg_endo -76.35 7.49 3.36 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.155 1.903 . . . . 70.31 113.88 -177.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -117.02 -45.89 2.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.939 0.399 . . . . 65.12 111.245 -176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.833 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.3 m -80.25 143.95 11.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.965 -0.561 . . . . 71.55 112.193 -171.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.7 m -80.54 173.75 12.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.57 -0.741 . . . . 22.22 109.882 175.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.77 -28.94 66.39 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.861 0.362 . . . . 62.42 110.998 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.0 m -62.83 -46.71 86.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.148 -0.478 . . . . 22.54 110.815 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.833 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 50.1 m -75.01 -29.12 60.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.777 0.322 . . . . 73.52 110.387 178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 7.8 mtpm? -56.68 -45.43 81.76 Favored 'General case' 0 C--O 1.222 -0.354 0 N-CA-C 109.773 -0.455 . . . . 72.51 109.773 173.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 76.5 mtt85 -55.75 -32.93 63.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.808 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -64.13 -54.02 40.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.421 . . . . 72.3 110.315 174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -65.23 -45.04 86.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 63.21 111.673 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 79.3 mm-40 -56.81 -52.84 63.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.118 0.261 . . . . 72.53 110.647 -179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -61.23 -40.6 94.61 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.275 -0.42 . . . . 60.14 110.598 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -62.46 -46.4 88.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.832 -0.622 . . . . 52.43 110.617 178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -58.03 -39.73 79.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.595 . . . . 74.42 111.225 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.64 ' HA ' ' HE3' ' A' ' 36' ' ' LYS . 41.1 mtpt -65.25 -39.1 92.21 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.605 -0.27 . . . . 73.32 110.737 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 37' ' ' ASP . 66.0 m-70 -72.22 -36.29 69.12 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.46 -0.496 . . . . 72.21 110.442 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 31' ' ' ALA . 69.5 mt -64.89 -50.97 72.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.957 -0.565 . . . . 61.32 110.774 178.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.64 ' HE3' ' HA ' ' A' ' 33' ' ' LYS . 21.9 pttp -64.39 -25.09 67.87 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.275 0.559 . . . . 62.31 110.599 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 34' ' ' HIS . 24.7 t70 -65.68 -48.16 72.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.503 -0.771 . . . . 73.54 111.404 177.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -87.93 -43.32 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.994 0.426 . . . . 61.33 111.433 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.846 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 57.6 m-85 -110.32 96.99 6.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.853 -0.612 . . . . 71.45 109.423 -178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 51.2 mtm180 -97.65 -63.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 55.11 110.503 -174.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -113.39 21.52 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.719 0.771 . . . . 74.44 109.429 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.846 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 18.8 ttmm -87.2 119.04 27.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.875 -1.057 . . . . 61.32 109.54 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 66.9 mt -69.81 170.52 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.749 -0.659 . . . . 73.44 111.381 -175.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -61.33 -37.02 81.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 74.11 111.145 -178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HD3' ' SD ' ' A' ' 1' ' ' MET . 14.1 ptmt -97.39 8.11 45.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.351 -0.386 . . . . 74.05 110.851 178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD2' ' HG3' ' A' ' 42' ' ' LYS . 9.8 t70 -95.42 0.81 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.694 -0.854 . . . . 64.13 108.694 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.645 HD13 ' HG2' ' A' ' 42' ' ' LYS . 33.5 mm -82.1 106.58 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.809 -1.087 . . . . 53.45 110.029 -179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.786 ' HB2' ' HG2' ' A' ' 51' ' ' GLU . 3.7 mptp? -79.78 142.35 35.43 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.709 -0.849 . . . . 74.04 108.709 173.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -56.59 -32.02 64.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.869 0.366 . . . . 64.32 110.72 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -37.18 73.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.034 177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.786 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 8.4 mm-40 -64.71 -41.74 95.77 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.466 0.65 . . . . 65.43 109.738 176.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.758 ' HE2' ' HB2' ' A' ' 96' ' ' ALA . 51.3 t80 -65.03 -36.05 83.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.086 -0.961 . . . . 51.4 110.478 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -60.87 -43.15 98.79 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.263 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -60.07 -46.5 89.37 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.128 -0.487 . . . . 74.32 110.364 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.639 ' CE2' HD21 ' A' ' 71' ' ' LEU . 66.3 t80 -56.54 -43.45 79.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.488 -0.778 . . . . 74.21 110.864 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 96' ' ' ALA . 90.5 mt -67.95 -44.43 76.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.12 -0.491 . . . . 73.24 111.075 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.7 m-20 -62.63 -38.37 89.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.488 -0.324 . . . . 72.13 111.001 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -68.63 -42.63 77.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 72.35 110.26 178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -68.74 -32.81 72.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.005 -0.543 . . . . 63.03 110.225 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.539 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -80.45 6.67 60.16 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.899 -0.591 . . . . 51.52 112.641 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 96.9 mt -91.3 -30.89 16.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.177 0.513 . . . . 63.11 110.026 171.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.1 p -104.64 -22.09 13.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.76 -0.654 . . . . 74.44 111.825 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -126.21 157.21 38.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.322 -0.399 . . . . 74.44 110.236 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 25.7 t -84.86 -178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.866 0.365 . . . . 70.13 110.468 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.02 -32.7 74.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.859 -0.61 . . . . 71.34 112.284 -172.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 8.1 tt0 -71.65 -46.74 58.07 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.239 -0.584 . . . . 64.13 110.836 -175.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 19.6 m -66.06 -39.48 90.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.534 0.207 . . . . 62.33 111.223 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.9 tt -67.01 -33.48 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.631 -0.507 . . . . 71.42 109.631 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -64.8 -39.94 94.42 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.157 -0.474 . . . . 62.52 110.376 174.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -59.52 -50.0 75.61 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 109.975 -0.379 . . . . 74.4 109.975 174.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 55' ' ' PHE . 51.9 tp -54.5 -50.55 67.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.745 -0.661 . . . . 74.35 110.441 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.424 ' HB2' HD21 ' A' ' 98' ' ' LEU . 34.8 t30 -50.71 -46.91 59.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.265 -0.88 . . . . 62.44 110.989 176.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.1 t -59.33 -44.93 92.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 63.44 111.073 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.5 -44.34 87.33 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.044 0.449 . . . . 75.33 110.078 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.583 HD13 ' HE1' ' A' ' 52' ' ' TYR . 84.3 mt -63.87 -42.94 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 62.52 111.319 -178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.755 ' HG2' HG21 ' A' ' 93' ' ' THR . 60.9 mtt180 -64.88 -40.38 95.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.065 -0.254 . . . . 63.23 110.683 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.55 -35.51 81.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 72.33 110.243 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.15 -48.17 68.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.077 -0.511 . . . . 75.33 111.208 177.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -65.24 -40.5 94.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.534 -0.303 . . . . 72.11 110.944 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.544 ' HA ' HG22 ' A' ' 83' ' ' ILE . 32.8 t70 -62.75 -34.84 78.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 62.21 110.884 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -65.44 -45.71 82.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.278 0.561 . . . . 65.44 110.002 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -67.84 -47.34 69.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.516 -0.765 . . . . 75.5 111.564 -178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.544 HG22 ' HA ' ' A' ' 80' ' ' ASP . 13.6 tt -64.0 -32.27 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.269 -0.423 . . . . 74.21 110.624 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -61.53 -31.55 71.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.993 -0.549 . . . . 74.14 110.256 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.65 1.73 46.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.931 -0.577 . . . . 74.11 110.779 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.06 24.25 62.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.079 -0.582 . . . . 71.55 112.462 176.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.619 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 1.1 t80 -69.34 -55.45 10.38 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.515 -0.55 . . . . 72.14 109.515 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.0 p -109.71 150.74 12.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.758 -0.655 . . . . 62.21 109.446 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.752 HG12 ' HG3' ' A' ' 90' ' ' LYS . 7.2 tt -67.69 -60.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.532 0.206 . . . . 71.01 111.294 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.752 ' HG3' HG12 ' A' ' 89' ' ' ILE . 41.5 mtpt -141.27 168.49 19.66 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.364 -0.606 . . . . 74.21 109.364 178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 75.1 m-20 -86.77 126.27 64.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.876 0.369 . . . . 73.41 111.568 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 14.5 Cg_exo -70.43 -4.56 14.73 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.353 2.702 . . . . 74.41 111.084 172.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.755 HG21 ' HG2' ' A' ' 76' ' ' ARG . 1.8 m -73.39 8.55 1.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.355 -0.839 . . . . 54.14 111.008 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -59.25 -36.82 76.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 73.11 110.631 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -96.51 25.38 5.12 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.356 0.598 . . . . 65.24 110.473 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.758 ' HB2' ' HE2' ' A' ' 52' ' ' TYR . . . -84.96 74.83 10.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.136 -0.484 . . . . 75.4 111.065 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -83.37 -16.51 45.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.948 -0.569 . . . . 74.13 110.831 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 72' ' ' ASN . 83.9 mt 59.73 79.31 0.24 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.462 -0.79 . . . . 72.34 110.92 -178.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -90.93 102.37 15.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.878 0.37 . . . . 75.02 110.535 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.14 84.86 7.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.498 -0.556 . . . . 61.34 109.498 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.56 ' HB2' HD23 ' A' ' 61' ' ' LEU . 19.6 m -72.5 -1.62 16.56 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.492 -0.776 . . . . 53.15 111.84 -173.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 60' ' ' GLY . 58.4 t -64.77 -35.45 75.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.958 0.409 . . . . 71.04 110.526 176.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.54 8.29 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 60.03 111.318 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -86.18 154.91 20.99 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.179 -0.304 . . . . 71.14 110.179 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -128.17 118.32 23.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.965 0.412 . . . . 64.42 111.356 -175.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -72.3 152.07 42.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 71.13 109.495 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -71.91 155.29 40.53 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.707 0.289 . . . . 74.32 110.952 -175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -70.99 -34.52 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.569 -0.53 . . . . 61.25 109.569 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.1 118.39 12.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.787 -0.642 . . . . 71.33 109.298 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.3 t60 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.68 -0.676 . . . . 72.52 109.73 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 ttm . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.875 0.369 . . . . 74.12 110.578 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.42 HG22 ' OH ' ' A' ' 87' ' ' TYR . 20.7 tt -76.38 136.57 24.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.73 0 CA-C-O 121.516 0.674 . . . . 55.41 111.239 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.563 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 27.0 p -81.77 161.31 23.33 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.443 -0.799 . . . . 73.25 110.224 177.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -62.61 -40.9 98.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.738 -0.21 . . . . 73.43 111.117 -177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.426 ' O ' ' HE1' ' A' ' 32' ' ' TYR . . . -61.88 -48.68 79.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.987 0.422 . . . . 62.25 110.598 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -66.37 -38.48 87.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.962 -0.563 . . . . 61.04 110.364 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -64.65 -52.41 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.991 -0.55 . . . . 75.32 111.245 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.61 -46.13 77.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.164 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 52.6 t80 -67.06 -45.57 76.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.068 -0.515 . . . . 75.51 110.75 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -60.88 -47.71 85.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.46 . . . . 73.52 110.414 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' CZ2' ' HE3' ' A' ' 16' ' ' LYS . 56.7 t90 -54.47 -45.23 73.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.825 . . . . 71.24 110.882 179.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.626 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 45.0 t80 -65.55 -50.46 65.12 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.365 -0.38 . . . . 73.33 111.081 177.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -54.3 -36.45 63.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 73.52 112.439 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.5 t -82.84 -31.97 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.589 -0.278 . . . . 74.41 111.711 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.442 ' O ' ' HD2' ' A' ' 18' ' ' PRO . 46.7 m-80 -101.78 -77.38 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.713 0.634 . . . . 73.24 112.713 -170.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HE3' ' CZ2' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -79.43 -15.78 57.24 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.595 0.591 . . . . 61.53 112.595 -167.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.629 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.3 tp -49.51 -55.23 23.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.084 0.772 . . . . 63.13 113.084 -174.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 78.2 Cg_endo -81.17 10.39 3.44 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.936 1.757 . . . . 65.44 113.747 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -120.22 -39.73 2.77 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.817 -0.353 . . . . 72.32 111.581 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 22.4 m -83.83 157.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.205 0.526 . . . . 72.02 111.491 -176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -87.12 169.41 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.629 -0.714 . . . . 55.11 110.293 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.532 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 36.5 mt-10 -64.31 -24.16 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.058 -0.257 . . . . 71.34 111.367 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.2 m -60.63 -42.66 97.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.948 -0.39 . . . . 61.43 109.948 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.509 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 11.4 m -72.06 -33.16 67.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.048 -0.523 . . . . 54.4 110.476 177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 8.5 mtpm? -59.1 -36.2 74.73 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 116.021 -0.536 . . . . 73.12 110.482 177.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 98.5 mtt180 -58.48 -42.34 87.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.33 110.538 178.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -67.8 -48.72 65.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.753 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.57 -41.82 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.409 -0.36 . . . . 62.2 111.693 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.37 -33.18 63.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.256 -0.178 . . . . 75.31 111.255 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.459 ' HA ' ' HG2' ' A' ' 33' ' ' LYS . 33.7 t -65.51 -43.46 90.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.179 -0.674 . . . . 71.34 109.179 174.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.66 -47.31 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.773 -0.649 . . . . 64.25 110.126 174.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 9' ' ' TYR . 54.7 t80 -64.75 -41.11 96.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.415 -0.812 . . . . 75.14 112.304 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 30' ' ' SER . 19.5 ptmt -63.95 -37.36 87.11 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.474 -0.49 . . . . 65.43 110.747 -178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -73.54 -36.24 65.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.697 0.284 . . . . 74.13 110.691 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.5 -46.78 95.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.368 -0.378 . . . . 50.22 110.405 174.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.94 -29.26 70.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 74.41 110.759 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -41.03 35.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.512 . . . . 72.33 111.305 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -83.62 -43.66 15.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 74.11 111.448 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -114.99 86.13 2.39 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.363 0.601 . . . . 63.45 109.932 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -82.26 -40.01 22.17 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.553 -0.749 . . . . 64.33 111.019 -174.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 22.75 3.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.299 0.571 . . . . 75.22 110.193 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.545 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 21.6 tptt -77.91 128.11 33.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.262 -0.881 . . . . 64.21 110.329 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 93.7 mt -68.53 161.14 28.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.207 -0.294 . . . . 74.55 110.207 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -65.12 -30.91 71.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.397 . . . . 64.25 110.533 178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -84.72 -4.84 59.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 61.24 111.483 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 13.3 t70 -102.3 9.92 39.56 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.324 0.583 . . . . 75.13 110.256 -176.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.513 HD13 ' HG2' ' A' ' 42' ' ' LYS . 28.3 mm -93.72 96.04 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.887 -0.597 . . . . 63.04 109.473 175.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -79.56 150.49 31.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.07 -0.514 . . . . 71.34 110.299 -179.114 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.656 ' HB3' ' HA ' ' A' ' 92' ' ' PRO . 4.5 ptp180 -62.98 -33.93 76.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.246 -0.434 . . . . 70.25 110.897 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 p -68.18 -44.43 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.067 -0.515 . . . . 74.35 110.68 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -63.7 -37.32 86.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.772 -0.649 . . . . 75.51 110.186 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 59.5 t80 -61.99 -37.39 84.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.411 -0.813 . . . . 65.51 111.358 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -59.14 -37.33 77.03 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.057 -0.257 . . . . 71.04 110.916 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -67.59 -36.43 80.86 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.782 0.325 . . . . 74.02 110.434 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE2' HD21 ' A' ' 71' ' ' LEU . 65.3 t80 -62.27 -49.77 74.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.539 . . . . 72.32 110.049 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' A' ' 68' ' ' ILE . 84.9 mt -61.3 -39.47 90.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 74.34 110.359 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.618 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.9 t-20 -57.69 -57.12 14.14 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.351 -0.84 . . . . 62.43 111.249 -177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -62.57 -39.47 93.79 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.16 0.505 . . . . 74.1 110.627 -179.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.479 ' HE1' ' HB ' ' A' ' 67' ' ' THR . 48.5 t80 -62.98 -47.32 83.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.524 -0.762 . . . . 74.42 110.565 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.2 -31.88 78.64 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 116.136 -0.484 . . . . 63.55 112.913 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 83.4 mt -70.21 -13.11 62.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.732 0.301 . . . . 72.43 111.387 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.2 p -120.39 6.66 10.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.824 0.345 . . . . 53.33 111.519 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.407 ' HB3' ' OG1' ' A' ' 67' ' ' THR . 74.8 m80 -144.11 -166.46 2.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.438 -0.346 . . . . 74.54 110.336 -177.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.8 t -109.08 179.99 4.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.199 -0.297 . . . . 45.44 110.199 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 69' ' ' ARG . 90.9 t80 -65.8 -40.26 91.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.456 -0.338 . . . . 71.23 111.164 -177.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.43 -42.29 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.65 0.241 . . . . 73.42 111.65 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.479 ' HB ' ' HE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -60.25 -47.33 86.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.276 -0.42 . . . . 45.54 111.193 177.65 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.699 HD11 ' HB3' ' A' ' 56' ' ' LEU . 15.4 tt -74.39 -34.6 36.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.709 -0.223 . . . . 72.11 111.216 -178.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HD3' HH11 ' A' ' 69' ' ' ARG . 0.4 OUTLIER -65.54 -49.14 69.99 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.952 -0.388 . . . . 65.4 109.952 179.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -58.61 -45.91 88.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.69 -0.686 . . . . 60.44 110.479 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 55' ' ' PHE . 48.5 tp -52.84 -53.86 42.64 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.692 -0.685 . . . . 75.52 111.237 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.497 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 43.6 t30 -54.45 -42.36 70.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 71.54 110.948 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 23.7 t -61.18 -46.73 89.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.952 -0.567 . . . . 64.34 111.157 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -63.38 -47.75 80.76 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.912 0.387 . . . . 75.14 110.657 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.76 -41.29 87.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.722 -0.672 . . . . 61.13 111.087 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 76' ' ' ARG . 23.5 ttp85 -62.29 -44.07 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.968 -0.382 . . . . 72.44 109.968 178.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -61.74 -38.54 88.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.622 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.17 68.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 73.12 110.995 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -66.5 -38.04 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 75.04 111.138 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -61.73 -37.27 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.16 -0.473 . . . . 61.33 110.275 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -69.61 -41.34 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.902 -0.59 . . . . 75.34 110.342 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 -38.16 87.26 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.096 -0.502 . . . . 55.32 110.573 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 42.4 mt -64.49 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.928 -0.578 . . . . 71.32 110.256 173.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -62.22 -42.37 99.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.351 -0.841 . . . . 73.13 111.451 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HG3' ' H ' ' A' ' 87' ' ' TYR . 6.7 pt-20 -79.12 -18.68 52.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.768 0.318 . . . . 70.42 110.887 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 95.33 12.03 55.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.859 -0.686 . . . . 62.44 112.455 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.445 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 19.4 t80 -69.03 -42.5 76.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.023 0.44 . . . . 71.43 110.678 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.9 p -127.68 133.19 68.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.259 -0.645 . . . . 54.12 109.259 175.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 tt -76.32 -35.35 27.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.104 0.409 . . . . 62.31 112.104 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.8 pttt -136.82 154.85 50.41 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.332 -0.247 . . . . 74.25 110.332 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -137.73 170.54 10.28 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.38 -0.373 . . . . 62.04 111.032 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.656 ' HA ' ' HB3' ' A' ' 49' ' ' ARG . 19.8 Cg_exo -68.47 -149.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.981 2.454 . . . . 63.4 111.343 168.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 79.3 p 54.06 17.45 1.41 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.186 0.594 . . . . 73.22 112.182 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.25 -54.43 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.019 -174.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -132.25 19.59 4.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.26 0.553 . . . . 40.25 110.229 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.33 137.21 37.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.456 -0.793 . . . . 53.44 110.437 -179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.69 171.97 7.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.254 -0.43 . . . . 63.2 110.752 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD22 HG12 ' A' ' 68' ' ' ILE . 89.2 mt -123.96 36.41 4.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 74.05 111.641 -171.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.22 129.94 37.46 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.154 -0.618 . . . . 65.32 109.849 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -114.56 120.23 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.905 -0.588 . . . . 74.21 110.098 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.0 m -79.23 50.54 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.372 0.606 . . . . 64.34 111.034 -179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 102' ' ' VAL . 19.7 t -136.13 3.76 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-N 115.194 -0.912 . . . . 74.33 109.011 177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -128.42 19.84 6.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.782 -0.645 . . . . 51.24 111.497 -171.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -58.75 -22.83 58.76 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.746 0.647 . . . . 75.51 112.746 -175.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 t60 64.28 40.37 6.69 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.137 0.494 . . . . 51.35 110.422 174.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -99.97 29.19 4.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.127 -0.488 . . . . 73.52 111.34 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 67.42 4.78 3.93 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.044 0.538 . . . . 73.3 112.321 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.493 ' O ' ' HB2' ' A' ' 109' ' ' HIS . 60.1 t-80 -79.02 -30.06 44.0 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.072 -0.251 . . . . 72.25 110.518 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 46.1 m-70 69.8 159.82 0.19 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.722 0.639 . . . . 72.24 110.529 -172.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.498 -0.763 . . . . 73.52 109.344 179.338 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 13.9 mmt . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.614 0.245 . . . . 73.45 110.614 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.4 tt -112.81 155.86 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.764 -0.458 . . . . 60.44 109.764 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -73.28 129.42 38.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.44 -0.346 . . . . 75.41 110.434 175.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.795 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 37.1 t80 -59.13 -43.38 91.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.51 . . . . 62.22 111.505 -174.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 36' ' ' LYS . . . -57.1 -50.16 73.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 72.24 111.108 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -68.14 -37.2 80.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.992 -0.549 . . . . 71.13 110.861 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 64.0 t80 -61.39 -43.62 98.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.376 -0.375 . . . . 72.15 110.379 175.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.03 -43.11 77.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.083 -0.508 . . . . 72.44 110.762 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -68.51 -47.0 68.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.223 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.9 pt20 -67.5 -33.63 75.48 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.683 -0.407 . . . . 62.41 110.123 -178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 65.1 t90 -58.39 -45.66 87.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.164 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.475 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 34.5 t80 -69.65 -49.69 51.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.957 -0.565 . . . . 75.14 111.136 177.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -56.38 -40.6 74.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.826 -0.624 . . . . 73.0 111.241 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 10' ' ' GLN . 46.9 t -83.01 -26.64 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 111.98 0.363 . . . . 72.54 111.98 -177.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.564 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 20.8 m-20 -108.29 -72.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.399 0.888 . . . . 74.03 113.399 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 69.6 mmtt -82.13 -10.19 59.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.249 0.463 . . . . 71.31 112.249 -165.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 31.1 tp -49.77 -57.09 13.34 Favored Pre-proline 0 CA--C 1.542 0.662 0 N-CA-C 113.327 0.862 . . . . 70.15 113.327 -174.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 86.5 Cg_endo -76.92 3.32 6.68 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 122.061 1.841 . . . . 73.41 113.8 -173.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -113.57 -8.62 13.32 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.841 -0.344 . . . . 71.42 111.184 -175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.4 m -117.06 165.71 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.978 0.418 . . . . 72.31 111.311 -175.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.3 m -89.02 168.61 12.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.9 -0.591 . . . . 65.42 109.975 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 25' ' ' LYS . 28.5 mt-10 -70.45 -23.45 62.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.931 0.396 . . . . 72.5 110.909 -178.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.461 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.4 p -65.01 -38.34 90.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.406 -0.59 . . . . 74.52 109.406 171.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.484 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.2 m -69.6 -32.55 71.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.715 -0.675 . . . . 61.52 110.528 176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 98.1 mttt -54.24 -46.12 72.5 Favored 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 109.661 -0.496 . . . . 71.3 109.661 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -56.15 -43.05 77.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.544 -0.753 . . . . 74.52 111.757 178.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' HD2' ' O ' ' A' ' 23' ' ' SER . 37.0 m-70 -56.69 -47.98 78.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.97 0.414 . . . . 63.04 110.767 179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -68.75 -40.21 79.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.553 . . . . 63.1 111.346 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.4 -42.07 92.98 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.142 -0.223 . . . . 74.44 111.001 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.448 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 69.7 m -61.8 -45.51 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.207 -0.294 . . . . 60.22 110.207 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -58.94 -51.76 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 71.1 110.555 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -54.65 -50.48 68.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.479 -0.782 . . . . 71.41 111.802 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 30' ' ' SER . 20.4 pttp -67.03 -31.8 72.57 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.188 -0.205 . . . . 60.52 111.233 -176.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -73.02 -38.85 66.42 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.683 0.278 . . . . 75.44 110.93 176.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 31' ' ' ALA . 81.9 mt -62.76 -51.3 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.374 -0.375 . . . . 72.53 110.553 178.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 5' ' ' ALA . 19.9 ptmt -68.36 -26.97 65.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.771 0.32 . . . . 70.3 110.948 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.76 -45.95 87.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.969 -0.56 . . . . 72.32 110.854 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -86.5 -50.46 6.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 72.34 111.17 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 42' ' ' LYS . 81.2 m-85 -89.67 59.99 4.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.302 0.572 . . . . 74.03 110.607 -176.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 23.8 mmt180 -55.84 111.45 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.093 -0.958 . . . . 74.12 111.209 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 m170 58.25 27.43 15.18 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.508 0.505 . . . . 75.14 111.735 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HE3' ' OD2' ' A' ' 46' ' ' ASP . 14.6 tptt -78.8 132.73 36.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.958 0.408 . . . . 53.4 110.749 -178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.478 HD22 ' HB3' ' A' ' 1' ' ' MET . 91.1 mt -69.38 155.44 40.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.829 -0.623 . . . . 71.34 110.365 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.795 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 5.3 tt -61.02 -40.9 95.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.229 0.538 . . . . 72.53 110.05 -176.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.54 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -90.69 -1.29 57.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.62 -0.718 . . . . 61.34 111.726 -176.856 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.563 ' OD2' ' HE3' ' A' ' 42' ' ' LYS . 28.4 t70 -93.37 -7.13 45.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.399 0.619 . . . . 64.2 110.085 -176.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 ' HB ' ' HG3' ' A' ' 92' ' ' PRO . 28.4 mm -67.76 127.74 29.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.848 -0.797 . . . . 71.15 108.848 174.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -113.24 152.48 29.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.913 -0.403 . . . . 74.12 109.913 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 49' ' ' ARG . 11.8 ptt180 -66.09 -37.88 86.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.668 0.27 . . . . 61.04 111.509 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 15.2 p -70.5 -29.7 66.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.091 0.472 . . . . 75.01 110.705 177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.94 -38.44 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.798 -0.637 . . . . 70.03 109.959 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -68.27 -39.49 82.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.361 -0.836 . . . . 72.3 110.997 -178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -58.85 -40.81 85.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.518 -0.31 . . . . 74.54 110.542 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 50' ' ' THR . 96.9 mttt -55.51 -41.9 73.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.265 -0.425 . . . . 72.01 110.761 176.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 71' ' ' LEU . 79.1 t80 -63.43 -44.19 95.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.765 -0.652 . . . . 74.12 110.314 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD11 ' A' ' 68' ' ' ILE . 96.8 mt -63.55 -41.71 98.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.03 -0.532 . . . . 73.22 111.084 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.596 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 93.7 m-20 -54.91 -52.84 61.66 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.648 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -71.34 -38.19 71.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 72.33 111.207 -175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -64.87 -38.76 92.04 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.891 0.377 . . . . 72.44 110.268 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 3.91 57.17 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.753 -0.658 . . . . 42.11 112.769 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' ' 101' ' ' SER . 98.5 mt -90.47 -11.51 40.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.34 110.715 176.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.4 p -131.11 2.85 4.32 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.013 0.375 . . . . 72.24 112.013 -176.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -137.98 166.93 22.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.627 0.251 . . . . 74.31 110.981 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.7 t -86.48 168.73 13.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.303 -0.408 . . . . 53.31 110.728 -175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' HE2' HH11 ' A' ' 69' ' ' ARG . 75.8 t80 -63.52 -44.21 94.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 72.14 112.067 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.15 -34.96 78.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 52.55 110.081 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.9 m -62.71 -46.31 88.72 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.614 -0.721 . . . . 55.44 110.556 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 65' ' ' TYR . 14.1 tt -70.21 -33.42 54.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.553 -0.294 . . . . 74.02 110.701 -179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.865 ' HG2' HD13 ' A' ' 98' ' ' LEU . 11.2 mtm180 -59.61 -51.09 71.3 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.907 0.384 . . . . 74.55 110.667 175.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -69.86 -33.87 72.85 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.926 -0.579 . . . . 65.33 111.004 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 55' ' ' PHE . 24.5 tp -52.91 -55.77 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.25 0.548 . . . . 75.22 109.717 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -60.2 -39.32 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.169 -0.923 . . . . 73.2 110.913 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.7 m -58.79 -44.91 90.85 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.106 -0.497 . . . . 53.13 111.717 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -65.83 -46.91 76.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.249 0.547 . . . . 72.12 109.72 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.59 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 80.3 mt -60.91 -45.31 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.212 -0.904 . . . . 70.12 111.109 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.6 mtt180 -65.07 -37.79 88.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.651 -0.25 . . . . 65.52 111.565 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.45 -38.89 91.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.466 -0.568 . . . . 72.14 109.466 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.13 -48.12 83.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.109 -0.496 . . . . 55.01 110.993 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.545 ' HB3' ' HB3' ' A' ' 91' ' ' ASN . 36.7 m-85 -63.98 -47.71 79.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.07 177.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -61.96 -38.66 89.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 74.11 111.118 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.46 -45.47 83.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.156 -0.475 . . . . 75.14 110.206 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' A' ' 87' ' ' TYR . . . -59.42 -48.67 80.75 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.842 -0.617 . . . . 74.44 110.233 175.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.5 mt -57.75 -38.2 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 74.34 110.69 176.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -58.21 -39.38 78.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.262 -0.881 . . . . 55.21 111.788 -173.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -92.61 -36.64 12.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.698 -0.401 . . . . 75.23 110.624 176.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 122.64 20.97 2.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.953 -0.641 . . . . 71.23 112.045 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . 40.8 t80 -72.44 -28.62 63.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.241 0.543 . . . . 61.31 110.137 -178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.4 p -139.25 154.98 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.728 -0.669 . . . . 64.11 109.26 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.484 HG23 ' HG2' ' A' ' 90' ' ' LYS . 7.5 tp -75.99 -42.18 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.891 0.33 . . . . 74.14 111.891 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.484 ' HG2' HG23 ' A' ' 89' ' ' ILE . 17.4 pttm -161.39 -177.17 5.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.854 0.359 . . . . 73.23 111.201 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.545 ' HB3' ' HB3' ' A' ' 79' ' ' PHE . 18.8 p30 -117.73 147.44 41.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 54.24 111.384 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 47' ' ' ILE . 76.4 Cg_endo -87.71 14.78 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 123.125 2.55 . . . . 74.52 112.677 176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.1 p -85.54 26.56 0.92 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.823 0.344 . . . . 70.25 111.447 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -63.7 -42.52 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 73.22 110.195 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -116.82 108.08 15.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.029 -0.532 . . . . 74.02 109.871 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -142.11 79.41 1.67 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.653 -0.703 . . . . 42.01 109.811 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -85.73 107.9 17.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.299 -176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.865 HD13 ' HG2' ' A' ' 69' ' ' ARG . 59.2 mt -76.71 89.73 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.512 -0.767 . . . . 74.04 110.846 -176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -118.82 109.14 15.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.848 -0.614 . . . . 71.04 110.407 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.49 97.64 11.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.008 -0.542 . . . . 62.1 109.901 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' ' 61' ' ' LEU . 32.0 t -91.12 82.54 5.53 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.464 0.65 . . . . 75.51 109.917 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.0 t -141.66 -35.89 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.371 -0.832 . . . . 74.2 109.724 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.6 mt -100.2 111.13 23.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 72.03 111.468 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -120.96 143.61 48.91 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.305 -0.628 . . . . 74.21 109.305 171.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -123.78 127.4 48.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.96 0.409 . . . . 65.32 110.386 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -89.86 102.74 15.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.231 -0.655 . . . . 73.01 109.231 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -100.52 143.29 30.87 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.877 -0.329 . . . . 73.33 110.232 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -81.14 118.58 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.078 -0.712 . . . . 73.0 109.078 173.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -94.19 145.59 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.103 0.478 . . . . 63.23 111.373 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 . . . . . 0 C--O 1.242 0.686 0 CA-C-N 115.429 -0.805 . . . . 71.53 109.269 171.104 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.8 ptp . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.287 0.565 . . . . 73.12 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 7' ' ' TYR . 16.5 tt -97.99 151.61 4.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 75.01 111.461 -174.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 43' ' ' LEU . 1.3 p -67.32 149.23 50.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 55.02 111.093 175.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.795 -174.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -55.04 39.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.987 0.422 . . . . 62.11 110.62 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -42.95 90.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.572 -0.74 . . . . 73.32 110.513 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.506 ' HB2' HG23 ' A' ' 2' ' ' ILE . 88.7 t80 -59.58 -46.98 87.32 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.037 -0.529 . . . . 75.11 110.972 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -56.61 -46.02 81.14 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.448 0.468 . . . . 72.25 110.81 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -65.77 -47.65 74.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 73.32 110.754 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.41 HE21 ' HB3' ' A' ' 10' ' ' GLN . 0.9 OUTLIER -61.23 -46.79 88.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 54.33 110.317 -179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.2 t90 -55.71 -48.43 75.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.938 -0.573 . . . . 74.21 110.775 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.473 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 18.0 t80 -61.89 -54.71 38.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.508 -0.314 . . . . 73.15 111.307 179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.752 ' HA ' ' HB2' ' A' ' 17' ' ' LEU . 28.0 tt0 -63.78 -28.76 70.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.414 -0.357 . . . . 71.34 111.759 -171.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.53 -28.32 5.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.173 -0.329 . . . . 71.41 111.707 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.2 m-80 -111.54 -43.7 3.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.493 0.923 . . . . 73.41 113.493 -170.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 5.4 mptp? -108.56 -14.73 14.58 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.416 0.524 . . . . 75.45 112.416 -171.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.752 ' HB2' ' HA ' ' A' ' 13' ' ' GLU . 12.8 tp -48.33 -57.58 10.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 113.232 0.827 . . . . 71.2 113.232 -173.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.703 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 8.7 Cg_endo -86.21 17.51 1.74 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 122.514 2.143 . . . . 75.11 112.956 -174.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.08 -0.47 9.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.919 0.39 . . . . 73.14 110.717 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.726 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 30.5 m -127.33 152.36 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.937 0.398 . . . . 73.13 111.04 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.9 p -87.77 176.96 7.15 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.682 -0.69 . . . . 73.45 111.054 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -59.16 -31.37 68.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.639 -0.709 . . . . 74.22 111.756 -174.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.1 p -62.84 -50.0 72.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.954 0.406 . . . . 64.53 110.411 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.726 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 5.7 m -70.3 -31.46 68.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.966 -0.561 . . . . 74.41 110.702 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG2' ' OH ' ' A' ' 12' ' ' TYR . 50.7 mttm -56.98 -51.54 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.293 -0.412 . . . . 65.24 110.542 175.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mtm180 -66.96 -28.43 68.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.092 -0.504 . . . . 71.55 111.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' THR . 20.1 m-70 -56.44 -51.25 69.13 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.07 0.462 . . . . 71.03 109.92 171.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -65.12 -40.84 95.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.797 -0.638 . . . . 52.23 111.255 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.7 -37.59 88.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 61.2 111.099 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.4 m -67.48 -41.58 84.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.019 0.437 . . . . 65.01 110.177 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.26 -49.06 77.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.957 -0.565 . . . . 61.34 110.503 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -58.3 -42.0 85.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.927 -0.578 . . . . 73.0 111.673 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -69.73 -31.78 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.447 -0.501 . . . . 65.4 111.174 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -77.48 -34.29 54.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.035 0.445 . . . . 65.21 110.674 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.05 -50.2 71.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.118 174.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -62.25 -28.09 69.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 73.44 110.822 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -67.53 -45.52 75.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 71.41 111.415 177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -86.59 -44.77 11.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.962 0.41 . . . . 64.02 111.118 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -113.14 97.63 6.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.157 -0.474 . . . . 54.14 109.73 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -91.3 -48.52 6.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.099 -0.5 . . . . 72.25 110.713 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -130.88 31.5 4.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.108 0.48 . . . . 72.43 111.212 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -87.91 127.26 35.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.005 -0.543 . . . . 63.43 109.793 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 3' ' ' THR . 85.2 mt -63.43 157.32 23.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 70.25 110.578 178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -54.93 -41.76 71.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.131 0.491 . . . . 71.33 110.721 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -87.66 -3.9 58.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.602 . . . . 62.31 111.573 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.2 t70 -92.31 -13.54 30.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.032 0.444 . . . . 61.43 110.016 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.5 107.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.803 -0.635 . . . . 73.13 110.472 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -76.56 136.7 39.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.978 -0.555 . . . . 74.34 109.726 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -63.08 -28.38 70.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.412 -0.358 . . . . 74.24 111.187 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.6 p -66.72 -45.22 79.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.396 -0.365 . . . . 73.41 110.396 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -70.76 -31.03 67.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.951 -0.568 . . . . 61.31 110.562 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 75' ' ' ILE . 63.7 t80 -60.11 -37.89 81.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 75.23 110.016 174.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -65.96 -37.58 86.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 72.55 110.579 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -59.48 -44.38 93.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.936 0.398 . . . . 75.54 110.143 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.604 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.2 t80 -57.75 -44.52 86.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.332 -0.849 . . . . 74.21 110.403 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.8 mt -68.22 -43.09 78.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 71.34 111.253 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.614 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -60.35 -49.52 77.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.511 -0.313 . . . . 70.3 110.692 -179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -66.01 -44.63 84.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 71.44 110.173 -176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -64.63 -37.55 87.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 74.25 110.488 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.74 -1.05 82.91 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 116.052 -0.522 . . . . 75.12 112.931 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.9 mt -90.19 -16.92 28.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.013 0.435 . . . . 73.04 110.165 174.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.2 p -119.99 2.53 10.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 55.33 111.93 -175.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -139.89 160.83 39.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 65.12 111.38 -174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.3 t -80.53 169.5 17.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 71.11 110.231 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.82 -40.44 96.61 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.1 0.408 . . . . 63.22 112.1 -173.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.42 -34.35 72.41 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.387 -0.525 . . . . 71.2 111.114 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -64.59 -44.85 89.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.496 -0.32 . . . . 74.02 110.478 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 14.7 tt -71.55 -33.18 48.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-O 120.679 0.276 . . . . 62.11 110.298 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -56.48 -49.9 73.32 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.365 -0.379 . . . . 75.21 110.514 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -54.79 -50.09 69.35 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.908 0.385 . . . . 63.21 110.597 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD21 ' CE2' ' A' ' 55' ' ' PHE . 45.9 tp -52.91 -51.63 60.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.506 -0.77 . . . . 71.11 110.865 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.07 -38.26 88.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.932 -0.576 . . . . 73.42 110.913 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.6 m -59.77 -45.98 90.58 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.268 -0.423 . . . . 64.42 110.704 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -63.99 -45.9 86.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 73.43 110.346 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 52' ' ' TYR . 64.3 mt -63.84 -40.18 88.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.978 -0.556 . . . . 74.01 110.878 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -56.69 -50.31 72.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.193 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.7 -37.13 86.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.518 -0.764 . . . . 65.24 111.206 -177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -52.95 61.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 71.14 111.281 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.458 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 31.2 m-85 -65.1 -41.64 94.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 74.31 111.215 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.552 ' O ' HG22 ' A' ' 83' ' ' ILE . 36.1 t70 -62.44 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.645 0.26 . . . . 75.42 110.852 -178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -58.65 -42.21 87.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.972 0.415 . . . . 54.23 110.083 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.39 81.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.839 -0.619 . . . . 65.33 111.362 178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 80' ' ' ASP . 11.8 tt -68.79 -29.4 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.772 -0.195 . . . . 54.11 110.588 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -54.96 -31.92 61.07 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.397 . . . . 74.22 110.407 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -95.49 -11.32 27.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.31 110.668 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.72 12.77 82.43 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.058 -0.817 . . . . 63.43 111.058 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -70.95 -27.57 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.179 0.514 . . . . 64.11 110.697 -176.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.6 p -122.09 159.5 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.882 -0.599 . . . . 61.02 109.605 177.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.53 -164.16 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.764 0.316 . . . . 74.22 110.86 176.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -53.98 124.14 14.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.052 -0.522 . . . . 74.41 110.354 176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 93.3 m-20 -50.29 126.7 21.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.222 -0.899 . . . . 61.01 112.452 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 32.4 Cg_exo -60.42 -9.1 10.02 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.657 2.904 . . . . 72.43 112.928 178.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.9 p -72.68 5.22 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.169 0.509 . . . . 61.44 110.457 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.417 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 56.9 t80 -51.38 -35.67 39.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.051 -0.977 . . . . 74.13 110.574 172.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG2' ' HD2' ' A' ' 94' ' ' TYR . 74.3 mmtt -122.89 87.88 2.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.897 -0.592 . . . . 74.15 109.714 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -126.99 86.98 2.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.35 0.595 . . . . 71.43 111.284 -177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.68 110.65 23.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.846 -0.616 . . . . 53.42 110.475 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 80.6 mt -86.16 74.14 10.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.815 -0.63 . . . . 60.05 110.12 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -98.54 82.36 2.84 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.971 -0.559 . . . . 64.33 110.451 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.73 98.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 31.11 109.276 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 61' ' ' LEU . 5.1 m -77.15 -0.88 26.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.713 -0.676 . . . . 61.12 111.22 -170.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.595 ' HB ' HD12 ' A' ' 103' ' ' LEU . 47.2 t -71.31 -36.44 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.725 -0.67 . . . . 71.13 110.417 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.595 HD12 ' HB ' ' A' ' 102' ' ' VAL . 6.2 mp -99.92 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.071 -0.513 . . . . 51.32 111.495 -173.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -108.8 113.96 27.33 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.85 -0.796 . . . . 73.12 108.85 169.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -73.72 -31.57 63.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 71.52 109.467 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -79.31 170.9 15.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.153 -0.931 . . . . 74.42 108.637 172.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -134.84 108.74 8.1 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 121.758 -0.589 . . . . 74.01 110.029 173.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.8 p-80 -129.72 143.81 50.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 72.23 110.716 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -164.3 -82.11 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.555 -0.748 . . . . 73.25 109.026 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.455 -0.783 . . . . 73.42 109.566 176.036 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.98 0.419 . . . . 63.44 110.768 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.406 HG12 ' N ' ' A' ' 3' ' ' THR . 12.4 tt -143.83 157.92 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.406 ' N ' HG12 ' A' ' 2' ' ' ILE . 6.4 p -76.38 143.07 40.91 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.254 -0.43 . . . . 74.02 110.519 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.734 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 29.0 t80 -60.7 -45.76 92.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.444 -0.344 . . . . 70.03 111.808 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -52.49 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.029 0.443 . . . . 70.13 110.699 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.05 -41.67 97.3 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.587 -0.733 . . . . 72.31 110.859 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -61.38 -46.91 88.2 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.623 -0.262 . . . . 73.41 110.796 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -59.77 -44.22 93.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.386 . . . . 75.14 110.349 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.2 -47.02 75.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 74.4 110.582 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 14' ' ' VAL . 23.8 tt0 -60.43 -48.73 80.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.138 -0.483 . . . . 64.24 110.161 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.528 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 54.6 t90 -54.04 -52.33 61.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 71.31 110.456 178.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.5 ' OH ' ' HG2' ' A' ' 25' ' ' LYS . 14.6 t80 -60.13 -47.09 87.36 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.222 -0.445 . . . . 74.2 111.408 -179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.633 ' HG3' HD22 ' A' ' 17' ' ' LEU . 32.7 tt0 -63.3 -20.94 65.93 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.118 -0.492 . . . . 63.44 111.25 -174.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 10' ' ' GLN . 42.0 t -97.54 -33.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.081 0.467 . . . . 70.42 111.053 176.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 1.3 t-20 -92.66 -53.39 4.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.742 0.645 . . . . 74.1 112.742 -164.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 20' ' ' VAL . 74.2 mmtt -114.12 -9.78 12.88 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.671 -0.412 . . . . 65.11 112.028 -169.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 28.1 tp -54.24 -55.26 38.76 Favored Pre-proline 0 CA--C 1.538 0.499 0 N-CA-C 112.871 0.693 . . . . 75.15 112.871 -173.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 9.8 Cg_endo -85.57 17.89 1.67 Allowed 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.113 1.875 . . . . 71.2 112.971 -176.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.406 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 85.1 m-70 -123.71 -46.21 2.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.69 0.281 . . . . 73.25 111.424 -175.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 24.5 m -79.73 161.46 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.488 -0.324 . . . . 44.13 111.067 -176.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 41.9 m -82.67 170.04 15.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 25.41 110.25 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 pm0 -61.03 -27.02 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 73.35 111.832 -175.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.5 p -63.33 -51.34 66.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.734 0.302 . . . . 75.44 110.465 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 19.2 m -66.94 -31.35 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 52.23 110.343 179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 97.3 mttt -59.16 -41.82 89.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.04 110.654 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -74.01 -28.8 61.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.777 -0.647 . . . . 72.42 111.204 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -60.85 -47.37 86.7 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.063 -0.347 . . . . 64.55 110.063 172.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' HE1' ' HZ3' ' A' ' 11' ' ' TRP . 35.6 m-85 -61.39 -40.16 93.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.083 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -59.87 -46.05 90.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.94 0.4 . . . . 75.05 110.713 176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.589 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 45.0 m -62.47 -44.99 95.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.936 -0.575 . . . . 74.13 110.384 178.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.69 -49.68 76.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.094 -0.503 . . . . 54.54 110.731 177.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.26 -39.8 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.693 -0.685 . . . . 74.41 111.895 -177.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 30' ' ' SER . 14.1 ptmm? -66.69 -34.93 78.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.54 -0.464 . . . . 71.24 110.577 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -71.19 -38.46 72.1 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.909 0.385 . . . . 75.42 110.028 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.63 -44.72 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 72.53 110.484 176.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' ARG . 16.8 ttmm -59.41 -32.43 70.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.606 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -78.77 -48.31 15.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 73.43 111.92 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -76.89 -35.0 57.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.664 0.268 . . . . 71.23 110.943 -176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 75.4 m-85 -123.46 75.4 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.892 0.377 . . . . 62.03 110.737 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HG2' ' O ' ' A' ' 36' ' ' LYS . 15.6 mtp180 -76.75 95.91 4.12 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.255 -0.43 . . . . 72.04 110.372 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 m170 65.16 31.25 11.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.507 -0.77 . . . . 74.35 111.133 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.737 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 43.2 tptt -78.68 132.16 36.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.328 -0.851 . . . . 61.12 109.155 173.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 96.8 mt -61.7 138.46 58.32 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 176.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.734 ' HA ' ' HB2' ' A' ' 4' ' ' PHE . 2.6 pt? -60.57 -31.46 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.17 0.509 . . . . 65.33 111.21 -174.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.673 ' HB3' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -90.59 3.42 54.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.987 -0.551 . . . . 74.12 110.952 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 19.8 t70 -102.52 -2.14 29.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.318 0.58 . . . . 73.0 109.631 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 HG13 ' CE1' ' A' ' 39' ' ' PHE . 1.8 mp -69.5 115.65 8.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.708 -0.678 . . . . 74.32 109.2 172.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -72.76 149.72 43.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.848 -0.615 . . . . 55.13 109.674 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CD ' ' HA ' ' A' ' 92' ' ' PRO . 1.2 mpp_? -58.38 -36.15 73.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.348 0.594 . . . . 72.13 109.746 177.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 6.7 p -70.88 -39.12 73.03 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.395 -0.821 . . . . 73.43 111.298 176.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -62.46 -41.92 99.11 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.503 0.192 . . . . 75.11 111.336 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.3 t80 -64.79 -41.4 95.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.373 -0.376 . . . . 73.4 109.997 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 0.7 OUTLIER -64.38 -43.61 93.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 75.34 109.787 177.077 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' THR . 67.7 mttm -60.31 -42.46 95.6 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.828 0.346 . . . . 62.35 110.94 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CE2' HD21 ' A' ' 71' ' ' LEU . 87.6 t80 -58.33 -41.12 83.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.934 -0.575 . . . . 64.21 110.37 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.49 ' HB3' HD11 ' A' ' 68' ' ' ILE . 95.0 mt -66.95 -37.73 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.873 -0.603 . . . . 62.44 110.642 177.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 9.3 m120 -60.59 -51.37 69.68 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.879 -0.415 . . . . 74.25 109.879 177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.81 -39.98 86.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.412 -0.813 . . . . 60.1 111.212 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -70.85 -35.96 72.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.542 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.53 -1.58 77.07 Favored Glycine 0 N--CA 1.453 -0.227 0 CA-C-N 115.998 -0.546 . . . . 74.4 112.734 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 101' ' ' SER . 96.0 mt -90.69 -16.33 28.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.928 0.394 . . . . 73.23 110.422 174.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 18.1 p -122.61 -9.42 8.44 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.514 0.561 . . . . 73.13 112.514 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -135.76 172.6 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 72.2 112.066 -173.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -80.6 168.36 18.98 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.352 -0.84 . . . . 61.0 110.768 -178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -68.94 -45.94 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 73.21 111.524 -174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -63.0 -33.47 75.48 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.38 -0.528 . . . . 73.25 110.205 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.2 m -66.18 -49.21 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.975 -0.557 . . . . 54.53 110.659 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 56' ' ' LEU . 4.9 tt -67.47 -34.74 70.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.96 0.41 . . . . 71.42 110.454 177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.08 -42.01 99.53 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.066 0.46 . . . . 75.44 110.426 176.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -71.37 -38.16 71.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.815 -0.63 . . . . 71.32 110.095 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 55' ' ' PHE . 29.5 tp -56.7 -51.67 67.89 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.987 -0.552 . . . . 61.4 110.721 173.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.423 HD21 ' NH2' ' A' ' 76' ' ' ARG . 32.7 t30 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.447 -0.797 . . . . 75.32 110.358 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.0 t -61.38 -47.98 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.983 -0.553 . . . . 52.14 110.704 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -53.41 -54.21 40.06 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.082 0.468 . . . . 45.22 111.04 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.435 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 73.6 mt -65.57 -36.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.691 . . . . 73.52 110.952 -177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.423 ' NH2' HD21 ' A' ' 72' ' ' ASN . 13.1 ttm180 -66.18 -37.53 85.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.989 -0.55 . . . . 64.25 110.604 178.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -66.19 -42.05 89.4 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.437 -0.347 . . . . 74.42 110.302 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.36 -45.95 89.99 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.115 -0.493 . . . . 41.45 110.878 179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' HB3' ' CG ' ' A' ' 91' ' ' ASN . 25.2 m-85 -71.0 -30.62 66.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 64.02 111.731 178.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 13.8 t70 -60.37 -40.1 89.59 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.626 -0.509 . . . . 72.33 109.626 174.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 3.0 m-20 -69.93 -41.07 75.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 73.4 110.499 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.42 69.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.339 -0.391 . . . . 54.31 111.185 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.6 tt -65.43 -32.5 58.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.091 0.472 . . . . 71.25 110.391 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 80' ' ' ASP . 51.7 t-80 -64.64 -29.3 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 75.13 110.263 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 36.6 mm-40 -99.08 -3.35 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.779 -0.646 . . . . 65.14 110.713 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.76 27.83 52.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.911 -0.661 . . . . 65.43 112.386 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.845 -0.428 . . . . 74.4 109.845 179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.673 HG22 ' HB3' ' A' ' 45' ' ' LYS . 52.4 t -108.07 130.2 60.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.986 -0.552 . . . . 63.51 109.92 178.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.598 HG12 ' HG2' ' A' ' 90' ' ' LYS . 8.2 tt -67.94 -50.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.324 -0.398 . . . . 74.22 111.516 -178.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.598 ' HG2' HG12 ' A' ' 89' ' ' ILE . 31.9 mmmt -129.18 109.78 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.731 -0.47 . . . . 44.14 109.731 -179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 97.2 m-20 -58.13 136.74 84.44 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.051 0.453 . . . . 52.31 111.939 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.525 ' HA ' ' CD ' ' A' ' 49' ' ' ARG . 12.9 Cg_exo -72.14 12.15 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.711 2.941 . . . . 75.42 112.988 178.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.3 p -80.31 -12.31 59.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.356 0.598 . . . . 63.43 110.714 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -70.78 141.5 51.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.49 -0.777 . . . . 72.22 109.992 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm 74.62 -6.61 1.88 Allowed 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.506 0.504 . . . . 54.32 111.531 176.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.3 136.46 37.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.882 0.372 . . . . 61.4 110.713 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.44 ' H ' ' HG2' ' A' ' 53' ' ' GLN . 45.2 mt-10 -136.07 156.8 48.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.343 -0.389 . . . . 73.03 110.892 -177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.38 144.83 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 73.14 109.951 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -157.53 90.57 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 74.44 110.596 178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.71 99.28 10.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.364 -0.606 . . . . 62.21 109.364 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.6 ' HB3' HD23 ' A' ' 61' ' ' LEU . 18.1 t -87.19 4.78 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.183 0.516 . . . . 75.14 111.039 -172.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.6 t -81.17 -16.03 12.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.356 0.598 . . . . 72.14 110.214 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -82.36 105.49 13.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.761 -0.654 . . . . 34.51 111.706 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -123.43 114.85 20.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.88 -0.6 . . . . 63.24 109.694 172.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -71.48 -18.45 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.066 0.46 . . . . 74.41 109.906 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -143.35 104.74 4.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.073 -0.714 . . . . 72.21 109.073 172.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -93.42 164.04 13.35 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.916 -0.314 . . . . 72.22 110.175 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -99.06 115.65 29.49 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.504 -0.554 . . . . 64.15 109.504 177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -66.68 123.56 20.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.399 -0.364 . . . . 74.15 110.594 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.811 -0.614 . . . . 70.21 109.637 177.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 tpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.993 -0.373 . . . . 74.31 109.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.427 HG22 ' HE2' ' A' ' 87' ' ' TYR . 11.2 tp -85.71 153.04 3.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.259 0.552 . . . . 72.12 111.201 -177.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.5 p -82.37 141.52 32.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.712 -0.676 . . . . 64.51 110.071 176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -56.36 -46.42 80.03 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 123.315 0.385 . . . . 73.42 111.983 -174.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.55 -55.26 36.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.038 0.447 . . . . 65.12 111.225 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -67.25 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 74.21 111.114 -177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -65.84 -46.24 79.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 74.12 110.392 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.28 -45.59 87.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.868 -0.605 . . . . 72.42 110.455 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -61.73 -47.38 85.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.899 -0.591 . . . . 73.33 110.732 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -47.38 84.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 73.4 110.273 179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 69.1 t90 -55.03 -39.29 68.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.879 -0.601 . . . . 72.55 110.918 178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.579 ' HD1' ' HB2' ' A' ' 16' ' ' LYS . 20.2 t80 -73.63 -53.48 10.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.307 -0.406 . . . . 75.34 111.27 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' HG3' HD22 ' A' ' 17' ' ' LEU . 40.8 tt0 -61.24 -38.1 85.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 74.11 111.951 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.0 t -83.82 -18.44 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.838 0.351 . . . . 65.21 111.475 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 11' ' ' TRP . 85.8 m-20 -116.31 -68.03 0.95 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.763 0.653 . . . . 63.21 112.763 -173.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 12' ' ' TYR . 70.6 mmtt -86.2 -17.99 33.38 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.33 0.493 . . . . 73.55 112.33 -165.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' HG3' ' A' ' 13' ' ' GLU . 26.3 tp -55.61 -55.04 44.79 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 112.998 0.74 . . . . 73.12 112.998 -174.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 17' ' ' LEU . 34.3 Cg_endo -64.8 -6.1 11.84 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.651 2.234 . . . . 75.22 114.367 -173.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -103.67 -13.25 16.57 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 121.013 -0.275 . . . . 62.04 111.434 -174.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 ' HB ' ' HB ' ' A' ' 24' ' ' THR . 21.3 m -119.62 179.13 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.156 0.503 . . . . 73.03 111.553 -174.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 m -120.9 -177.42 3.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 74.41 109.827 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 78.8 mm-40 -49.44 -36.44 22.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 72.12 112.14 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.9 m -57.08 -43.94 82.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.351 -0.386 . . . . 64.52 111.418 -177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.461 ' HB ' ' HB ' ' A' ' 20' ' ' VAL . 27.8 m -80.68 -31.35 36.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 73.03 110.493 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 22' ' ' GLU . 10.4 mtpm? -56.94 -41.41 78.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 116.071 -0.513 . . . . 70.45 110.706 177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 49.3 mtt180 -54.3 -45.9 72.67 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.374 -0.376 . . . . 71.32 110.823 179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.29 -49.33 69.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 60.21 110.929 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -61.69 -46.84 87.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.469 -0.332 . . . . 71.4 111.746 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.72 -48.35 79.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.507 -0.315 . . . . 63.02 111.72 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 p -68.23 -31.25 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.89 -0.324 . . . . 61.42 110.995 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.766 ' HB1' HD13 ' A' ' 71' ' ' LEU . . . -66.46 -50.57 62.9 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.995 -0.372 . . . . 73.14 109.995 174.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -58.05 -35.91 72.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.58 -0.736 . . . . 65.21 110.741 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -66.21 -43.61 86.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 72.14 110.396 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -65.01 -37.1 86.54 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.845 0.355 . . . . 64.34 110.707 175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 31' ' ' ALA . 82.3 mt -62.51 -50.77 78.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.52 110.291 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -65.1 -28.22 69.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.128 0.489 . . . . 71.55 110.582 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.08 -41.39 77.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.92 -0.582 . . . . 64.43 111.176 178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -87.53 -39.83 14.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.211 -0.45 . . . . 73.41 111.455 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 61.5 m-85 -122.74 92.29 3.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.005 -0.543 . . . . 70.12 109.577 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -76.22 -52.63 9.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.169 0.509 . . . . 73.52 110.815 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.27 23.34 4.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.424 0.631 . . . . 75.42 110.054 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 13.9 tptp -67.82 126.06 28.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.094 -0.957 . . . . 70.31 109.512 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 82.3 mt -62.94 146.6 52.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 63.4 110.763 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -53.5 -43.77 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.552 0.532 . . . . 75.34 111.458 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -79.28 -4.42 50.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 65.12 111.722 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 43' ' ' LEU . 11.7 t70 -100.76 -7.56 23.6 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.104 -0.238 . . . . 65.03 111.133 -172.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.26 110.81 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.309 0.576 . . . . 74.22 109.542 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.668 ' HB2' ' HG3' ' A' ' 51' ' ' GLU . 55.1 mtpt -83.0 145.58 29.25 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.763 -0.653 . . . . 65.44 109.949 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.705 ' HG2' ' HA ' ' A' ' 92' ' ' PRO . 22.6 mtt180 -61.9 -30.76 71.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.833 -0.621 . . . . 70.11 110.695 -175.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.5 -28.49 65.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.681 -0.69 . . . . 62.13 110.795 177.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.668 ' HG3' ' HB2' ' A' ' 48' ' ' LYS . 41.1 mt-10 -76.05 -46.04 31.19 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.04 0.447 . . . . 72.34 109.897 177.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CZ ' HG21 ' A' ' 75' ' ' ILE . 28.9 t80 -60.99 -35.48 76.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.445 -0.798 . . . . 72.51 110.763 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -53.32 55.17 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.575 -0.528 . . . . 64.34 109.575 173.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -59.92 -40.85 90.27 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.917 -0.583 . . . . 71.24 111.356 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CE2' HD21 ' A' ' 71' ' ' LEU . 74.1 t80 -55.15 -45.4 75.65 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 116.044 -0.526 . . . . 62.43 111.47 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.42 -33.3 67.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 64.13 111.314 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.585 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 95.3 m-20 -59.28 -51.34 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 73.22 110.558 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.19 -31.6 71.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 73.41 110.848 -177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -73.69 -35.35 65.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 75.01 109.916 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -80.66 -2.81 90.13 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.856 -0.611 . . . . 75.41 112.638 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 101' ' ' SER . 92.1 mt -90.55 -17.27 27.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.23 110.409 174.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.8 p -118.27 -32.76 4.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 51.52 112.346 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -111.29 154.59 24.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.932 0.396 . . . . 65.42 111.455 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 m -64.8 163.72 13.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.716 -0.675 . . . . 71.25 111.199 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -60.43 -44.34 95.88 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.425 -0.352 . . . . 54.31 111.544 -176.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.34 -30.32 71.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.894 0.378 . . . . 53.22 110.325 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.8 m -70.53 -46.72 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.963 -0.562 . . . . 53.44 110.672 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.4 tt -72.06 -33.92 48.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.817 0.341 . . . . 72.23 110.423 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.6 ttt180 -58.83 -50.07 75.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 62.12 111.158 177.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -67.78 -35.58 78.94 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.67 -0.412 . . . . 62.32 110.1 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.766 HD13 ' HB1' ' A' ' 31' ' ' ALA . 47.6 tp -59.24 -49.46 77.77 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.576 -0.284 . . . . 73.15 110.348 176.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.438 ' HB2' HD21 ' A' ' 98' ' ' LEU . 24.4 t30 -51.72 -44.61 63.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.989 -0.55 . . . . 71.42 110.338 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.9 t -60.91 -44.41 97.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 61.12 110.674 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -62.07 -44.61 96.31 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.285 -0.265 . . . . 74.1 110.285 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 71' ' ' LEU . 37.5 mm -58.8 -48.49 86.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.178 -0.464 . . . . 74.31 110.357 178.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.604 ' HG2' HG21 ' A' ' 93' ' ' THR . 77.2 mtp180 -59.13 -49.2 78.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.645 -0.707 . . . . 62.21 110.82 179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.14 -40.43 96.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.279 . . . . 40.12 111.582 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.71 86.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.752 0.311 . . . . 70.43 111.063 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.456 ' O ' HG12 ' A' ' 83' ' ' ILE . 32.9 m-85 -71.19 -37.96 72.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.528 -0.305 . . . . 74.33 111.19 178.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.89 -35.43 80.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 72.33 110.377 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -48.89 79.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.72 . . . . 73.23 109.321 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.14 -36.07 82.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.358 -0.837 . . . . 74.1 111.005 176.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 79' ' ' PHE . 18.7 mm -59.56 -47.38 91.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.016 0.436 . . . . 71.14 110.653 175.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -62.76 -38.65 91.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.66 -0.7 . . . . 74.52 110.976 -176.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -78.9 -15.49 58.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.441 . . . . 73.22 110.831 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.41 26.72 46.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.124 -0.56 . . . . 31.53 111.779 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.427 ' HE2' HG22 ' A' ' 2' ' ' ILE . 28.5 t80 -92.26 -28.25 17.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.79 0.329 . . . . 72.32 111.388 -174.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.3 151.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.741 -0.466 . . . . 62.05 109.741 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.8 tt -74.07 -49.61 32.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.527 0.566 . . . . 63.12 112.527 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -153.15 154.94 35.77 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.693 0.282 . . . . 63.44 111.317 -175.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -74.08 135.43 76.8 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.999 -0.546 . . . . 73.21 110.109 173.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.705 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 71.6 Cg_endo -76.7 0.44 9.58 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.632 2.221 . . . . 25.3 111.857 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.604 HG21 ' HG2' ' A' ' 76' ' ' ARG . 13.5 p -73.4 86.8 1.52 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.446 0.641 . . . . 72.43 110.316 177.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.48 ' HB2' ' HD3' ' A' ' 49' ' ' ARG . 78.8 t80 -117.83 -65.31 1.19 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.128 -0.942 . . . . 74.55 109.403 -177.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 95' ' ' LYS . 15.4 ptpt -112.08 34.47 4.23 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.179 -0.919 . . . . 74.23 109.447 175.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -81.84 79.99 8.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.258 -0.883 . . . . 71.21 110.131 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -101.16 134.03 44.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.763 -0.653 . . . . 65.42 110.372 -177.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.438 HD21 ' HB2' ' A' ' 72' ' ' ASN . 89.6 mt -85.03 114.72 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 65.03 110.706 -175.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -142.65 104.0 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.142 -0.481 . . . . 63.34 109.993 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.45 119.95 24.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.298 -0.41 . . . . 73.32 110.851 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.646 ' HB2' HD23 ' A' ' 61' ' ' LEU . 53.6 m -119.9 32.67 5.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.302 0.572 . . . . 53.51 110.321 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.7 t -71.78 -21.09 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 73.24 111.17 -177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 103' ' ' LEU . 1.7 pp -125.2 142.15 51.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.702 0.763 . . . . 70.44 112.684 -174.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -122.54 158.68 29.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.49 -1.3 . . . . 72.45 107.49 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -55.93 150.02 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.144 0.497 . . . . 71.1 111.318 -176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -77.7 52.28 0.99 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.48 -0.782 . . . . 55.2 110.596 -174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -84.18 -16.99 41.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 73.41 111.22 -175.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -124.97 136.25 53.56 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.475 -0.565 . . . . 70.35 109.475 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -112.67 127.62 56.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.262 -0.426 . . . . 73.2 110.312 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.59 -0.719 . . . . 71.14 109.358 178.256 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 110.029 -0.36 . . . . 62.15 110.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 7' ' ' TYR . 14.0 tt -134.67 161.17 40.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 75.33 109.416 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -66.31 133.99 51.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.547 0.213 . . . . 74.32 110.608 176.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.636 ' HZ ' HG23 ' A' ' 75' ' ' ILE . 30.5 t80 -61.89 -36.44 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.439 -0.346 . . . . 71.33 111.431 -175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.97 0.414 . . . . 71.34 110.584 178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.21 -38.81 85.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 61.31 110.639 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' HG23 ' A' ' 2' ' ' ILE . 89.1 t80 -59.85 -48.08 83.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 73.41 110.97 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -59.22 -49.01 79.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.03 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.55 -42.45 87.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 61.33 110.978 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.28 -46.45 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.554 -0.293 . . . . 74.2 110.253 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.1 t90 -54.72 -46.38 74.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 73.1 110.179 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 6.2 t80 -60.03 -49.17 78.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.558 -0.746 . . . . 74.24 111.276 177.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.766 ' HG3' HD22 ' A' ' 17' ' ' LEU . 31.6 tt0 -70.13 -10.28 58.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.098 0.475 . . . . 74.51 111.243 -174.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.9 t -103.14 -26.73 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.899 0.381 . . . . 52.53 111.589 176.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -110.95 -33.3 6.55 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.55 0.945 . . . . 74.13 113.55 -170.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 72.9 mmtt -117.23 -22.78 8.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.229 0.455 . . . . 71.1 112.229 -170.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.772 ' HB3' ' HD3' ' A' ' 18' ' ' PRO . 18.3 tp -47.94 -59.22 6.13 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.485 0.92 . . . . 54.42 113.485 -169.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 13.4 Cg_endo -91.0 19.51 1.11 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.371 2.047 . . . . 63.21 112.802 -176.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CD2' ' HD2' ' A' ' 18' ' ' PRO . 94.1 m-70 -121.62 -50.51 2.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.455 -0.339 . . . . 74.32 111.436 -174.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 16' ' ' LYS . 21.9 m -81.2 164.46 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.393 -0.367 . . . . 72.15 111.036 -177.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.8 p -72.79 160.15 32.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.507 -0.315 . . . . 51.0 110.526 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.443 ' HA ' ' CG ' ' A' ' 25' ' ' LYS . 42.3 mt-10 -69.96 -23.39 63.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.026 0.441 . . . . 54.45 110.286 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.7 t -61.83 -43.23 99.27 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.986 -0.746 . . . . 75.2 108.986 171.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.514 HG22 ' HE2' ' A' ' 28' ' ' TYR . 63.3 m -66.33 -36.95 84.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.541 -0.754 . . . . 74.12 110.511 176.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' CG ' ' HA ' ' A' ' 22' ' ' GLU . 98.7 mttt -55.87 -37.01 68.23 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.67 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.82 -33.69 76.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 64.15 110.686 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 24' ' ' THR . 96.8 m-70 -68.87 -36.97 78.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.45 110.116 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HE2' HG22 ' A' ' 24' ' ' THR . 62.3 m-85 -65.78 -38.21 88.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 70.45 110.73 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -57.34 -50.97 71.26 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.145 -0.317 . . . . 74.12 110.145 174.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.5 t -61.0 -44.47 97.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.904 -0.589 . . . . 74.22 110.602 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -59.87 -56.13 25.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 72.44 110.87 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.05 -42.65 90.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.599 -0.728 . . . . 71.24 112.011 -176.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -69.6 -34.11 73.65 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.792 -0.363 . . . . 73.04 111.335 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -75.75 -35.86 60.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.85 0.357 . . . . 63.13 110.481 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' ALA . 62.1 mt -62.38 -51.09 76.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 72.22 110.635 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 40' ' ' ARG . 20.2 ptmt -69.1 -26.99 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 44.15 110.711 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.23 -47.74 84.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.03 -0.532 . . . . 74.12 110.909 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -84.84 -51.19 6.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.285 -0.416 . . . . 72.14 111.25 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' HB3' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m-85 -92.55 52.07 1.84 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.987 0.423 . . . . 74.23 111.196 -174.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 36' ' ' LYS . 13.6 mtm180 -60.9 108.9 0.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.887 -0.597 . . . . 72.41 111.189 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 63.29 25.22 14.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.424 -0.807 . . . . 73.35 111.643 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.669 ' HB3' ' HB3' ' A' ' 39' ' ' PHE . 2.0 tpmt? -84.42 127.96 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.191 -0.459 . . . . 72.25 109.975 176.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.37 153.45 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 64.31 111.387 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.2 tp -53.97 -45.12 71.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.502 -0.772 . . . . 73.43 112.155 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -82.78 -7.86 59.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.563 -0.29 . . . . 74.22 111.587 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -99.51 6.33 45.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.144 0.497 . . . . 72.3 110.549 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.65 HD13 ' HG2' ' A' ' 42' ' ' LYS . 47.1 mm -68.71 114.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 74.15 109.992 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.55 126.43 30.23 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.904 -0.589 . . . . 64.04 109.436 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -63.19 -31.69 72.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.826 0.346 . . . . 70.04 111.036 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -70.63 -40.41 73.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.165 -0.47 . . . . 54.35 110.586 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -64.62 -39.44 93.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.868 -0.606 . . . . 65.03 109.933 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' CE1' HG21 ' A' ' 75' ' ' ILE . 53.7 t80 -64.63 -43.51 93.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.512 -0.767 . . . . 71.41 110.962 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.32 -46.39 80.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.994 0.426 . . . . 64.32 110.078 177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -56.96 -40.17 75.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.632 -0.713 . . . . 55.2 110.7 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.455 ' CE2' HD21 ' A' ' 71' ' ' LEU . 76.5 t80 -55.24 -48.25 74.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.526 . . . . 75.51 110.631 176.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.36 -44.32 88.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.292 -0.413 . . . . 53.15 110.602 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.841 ' HA ' ' HB3' ' A' ' 99' ' ' HIS . 1.0 OUTLIER -57.9 -42.55 84.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.054 -0.521 . . . . 51.3 111.24 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -71.65 -42.76 67.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 73.32 110.492 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.99 -39.91 83.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 74.15 111.028 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -81.56 4.73 71.99 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 121.058 -0.592 . . . . 61.34 113.079 -178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 95.0 mt -91.14 -8.53 48.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 73.11 110.393 174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.0 p -135.85 5.57 3.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.012 -0.54 . . . . 70.13 111.644 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -138.98 156.25 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.655 0.264 . . . . 71.31 111.035 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -69.45 157.63 36.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.808 -0.633 . . . . 73.25 110.577 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.446 ' HA ' HG22 ' A' ' 68' ' ' ILE . 89.8 t80 -59.79 -38.51 82.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.973 -0.558 . . . . 61.13 111.013 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -64.47 -35.66 81.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.115 0.483 . . . . 72.23 110.27 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.5 m -70.73 -45.11 65.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.729 -0.669 . . . . 72.41 110.95 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.446 HG22 ' HA ' ' A' ' 65' ' ' TYR . 7.1 tt -69.35 -34.89 64.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.842 0.353 . . . . 74.32 110.813 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.46 -44.64 90.43 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.037 0.446 . . . . 75.3 110.028 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 32.7 ttmt -61.75 -45.01 95.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.458 -0.792 . . . . 70.44 109.669 179.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.455 HD21 ' CE2' ' A' ' 55' ' ' PHE . 23.4 tp -53.87 -56.16 20.17 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.583 -0.735 . . . . 73.11 111.298 172.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -50.98 -44.73 60.76 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.029 -0.532 . . . . 71.15 111.335 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.1 m -59.48 -41.28 89.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 74.31 111.037 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.51 ' CZ ' ' HG2' ' A' ' 70' ' ' LYS . 21.2 m-85 -62.89 -54.42 38.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.052 0.453 . . . . 54.25 110.882 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.636 HG23 ' HZ ' ' A' ' 4' ' ' PHE . 46.4 mt -63.78 -40.08 87.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.833 -0.621 . . . . 75.24 110.85 -175.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -59.51 -43.52 93.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 74.14 110.473 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.437 HD22 ' HA ' ' A' ' 77' ' ' ASN . 3.7 m120 -67.94 -33.97 75.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.421 -0.354 . . . . 63.12 111.222 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.41 71.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 64.05 111.027 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.427 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 23.0 m-85 -67.82 -37.53 82.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.439 -0.346 . . . . 70.44 110.943 177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.95 -38.25 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 65.45 110.557 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.53 -40.64 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.86 0.362 . . . . 73.12 110.29 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.981 -0.554 . . . . 72.34 111.274 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 90' ' ' LYS . 12.0 tt -73.12 -32.79 40.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.871 0.367 . . . . 71.24 110.568 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -63.9 -30.01 71.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.357 0.599 . . . . 70.21 110.131 173.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -80.7 -24.57 38.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.347 -0.842 . . . . 75.12 110.213 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.5 26.18 57.42 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 110.418 -1.073 . . . . 62.14 110.418 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -99.23 0.1 42.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.864 -0.668 . . . . 55.41 110.899 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG22 ' H ' ' A' ' 89' ' ' ILE . 5.6 p -156.12 -179.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.934 -0.395 . . . . 52.22 109.934 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.695 ' H ' HG22 ' A' ' 88' ' ' VAL . 28.3 pt -71.96 -168.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.285 . . . . 61.15 111.051 177.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.655 ' HA ' HD12 ' A' ' 83' ' ' ILE . 19.6 pttp -83.13 39.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.011 0.434 . . . . 73.42 111.867 -177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 84.8 m-20 70.1 131.2 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.395 0 CA-C-N 115.074 -0.966 . . . . 74.31 113.39 173.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 91' ' ' ASN . 5.8 Cg_exo -79.81 -4.68 13.55 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 123.604 2.869 . . . . 71.04 110.943 170.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.471 HG23 ' HE2' ' A' ' 52' ' ' TYR . 1.9 m -79.13 34.65 0.24 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.391 -0.822 . . . . 63.1 110.531 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.44 -62.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.07 -177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -108.95 42.89 1.33 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.565 0.697 . . . . 74.31 110.62 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.44 97.25 5.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.46 -0.791 . . . . 60.55 110.973 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -100.11 149.28 23.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 64.25 111.093 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.9 mt -88.28 102.0 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 74.4 110.369 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.841 ' HB3' ' HA ' ' A' ' 57' ' ' ASN . 54.4 t-80 -101.99 96.42 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.716 -0.674 . . . . 74.43 110.451 -177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -120.98 108.13 13.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.391 -178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.0 m -106.18 11.23 31.49 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.089 -0.505 . . . . 72.35 110.657 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 60' ' ' GLY . 48.6 t -83.92 98.87 5.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.013 -0.54 . . . . 65.54 111.251 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.06 127.47 38.29 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.573 -0.74 . . . . 50.52 109.068 173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -78.56 -49.32 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.089 0.471 . . . . 72.13 109.858 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.9 p80 -107.46 134.86 49.88 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.167 -0.469 . . . . 65.32 110.446 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -120.03 -65.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.706 -0.679 . . . . 62.23 109.959 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -122.3 144.35 49.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.69 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -94.55 -47.39 6.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 74.12 110.938 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.1 p80 -153.18 -173.63 4.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.102 0.477 . . . . 73.43 111.362 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.5 p80 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.467 -0.788 . . . . 71.41 109.335 176.684 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' SD ' ' HB3' ' A' ' 45' ' ' LYS . 50.5 ttm . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.706 -0.479 . . . . 61.22 109.706 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.5 tt -93.88 153.1 3.43 Favored 'Isoleucine or valine' 0 C--O 1.242 0.7 0 CA-C-O 121.754 0.788 . . . . 73.35 112.07 -175.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 41' ' ' HIS . 0.9 OUTLIER -73.05 145.92 46.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.845 -1.071 . . . . 75.15 110.54 174.045 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -65.49 -38.32 89.41 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.817 0.303 . . . . 63.14 111.817 -176.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.35 -56.1 25.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.022 0.439 . . . . 62.45 110.743 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.08 -39.84 93.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 74.43 110.67 179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' ' 10' ' ' GLN . 71.9 t80 -60.68 -45.1 95.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.833 -0.622 . . . . 71.41 111.193 178.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -61.29 -47.37 86.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.287 -0.415 . . . . 72.0 111.478 -176.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' HE1' ' HG2' ' A' ' 29' ' ' GLU . 50.6 t80 -67.92 -42.36 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.521 -0.472 . . . . 71.42 110.949 -176.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 4.8 pp0? -69.47 -35.18 75.36 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.523 -0.471 . . . . 73.22 109.918 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -57.54 -43.07 84.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.282 0.563 . . . . 74.41 109.734 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 32.9 t80 -67.96 -56.48 8.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.365 -0.834 . . . . 70.1 110.611 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.72 ' HG2' HD22 ' A' ' 17' ' ' LEU . 2.6 tm-20 -56.89 -41.92 78.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.064 -0.516 . . . . 73.42 111.844 -174.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -69.94 -33.71 56.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 72.02 111.891 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -106.79 -65.68 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.457 -0.497 . . . . 70.44 111.71 -172.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -96.16 94.69 7.66 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.731 -0.47 . . . . 71.4 109.731 -177.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.72 HD22 ' HG2' ' A' ' 13' ' ' GLU . 16.0 tp -150.0 -59.67 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.657 0 C-N-CA 120.406 -0.517 . . . . 54.11 111.575 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 17' ' ' LEU . 52.7 Cg_endo -70.29 -17.42 35.16 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 121.681 1.588 . . . . 75.13 112.169 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -91.85 -9.17 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.69 -0.687 . . . . 74.03 110.603 -175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.36 171.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.101 -0.499 . . . . 63.31 110.427 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -111.76 171.17 7.65 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.892 -0.41 . . . . 52.54 109.892 176.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 25' ' ' LYS . 45.2 mt-10 -62.35 -23.24 66.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.26 0.467 . . . . 60.1 112.26 -179.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t -60.09 -39.9 87.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.217 0.532 . . . . 64.55 109.704 172.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 m -75.64 -38.42 58.89 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.135 -0.484 . . . . 61.11 110.087 175.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' HA ' ' A' ' 22' ' ' GLU . 25.2 mtpt -56.3 -36.82 69.09 Favored 'General case' 0 C--O 1.22 -0.481 0 CA-C-N 116.09 -0.505 . . . . 74.14 110.266 176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 26' ' ' ARG . 5.5 tpt180 -56.29 -37.44 69.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 75.24 111.323 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -71.79 -47.02 56.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 74.24 110.722 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -64.36 -42.74 96.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 74.51 110.846 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.733 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 47.8 mt-10 -67.69 -40.48 84.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.254 -0.43 . . . . 71.03 110.565 178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.4 t -51.39 -48.38 62.61 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.586 -0.524 . . . . 72.14 109.586 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 35' ' ' ILE . . . -57.41 -51.43 69.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.48 -0.782 . . . . 74.01 110.34 174.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.66 -44.01 80.92 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.9 -0.591 . . . . 73.3 112.401 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HG2' ' O ' ' A' ' 29' ' ' GLU . 24.5 mmmt -61.42 -45.12 95.67 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.882 -0.414 . . . . 64.41 109.882 -177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.49 -32.08 65.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.855 -0.611 . . . . 65.14 110.627 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 31' ' ' ALA . 72.7 mt -64.32 -48.59 84.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 109.854 -0.424 . . . . 42.42 109.854 173.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HB3' ' HE3' ' A' ' 36' ' ' LYS . 23.1 ttpp -62.72 -28.38 69.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.241 0.543 . . . . 73.05 110.736 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.09 -46.71 61.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.695 -0.684 . . . . 71.43 111.455 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.9 m80 -86.77 -27.01 23.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.053 0.454 . . . . 72.04 111.169 -177.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.899 ' HD1' ' HD2' ' A' ' 42' ' ' LYS . 59.4 m-85 -126.74 83.04 2.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.931 -0.577 . . . . 74.25 110.224 -178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -65.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.934 -0.765 . . . . 75.43 108.934 176.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.447 ' HA ' HG21 ' A' ' 3' ' ' THR . 28.7 m-70 -121.05 82.43 1.92 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.284 -0.871 . . . . 74.02 110.266 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.899 ' HD2' ' HD1' ' A' ' 39' ' ' PHE . 14.1 ttmm -139.27 107.72 5.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.414 -1.266 . . . . 51.23 108.494 175.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.1 mt -56.44 151.73 12.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.498 -0.774 . . . . 74.31 110.353 -178.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.631 ' HG ' HG11 ' A' ' 88' ' ' VAL . 2.7 pt? -71.21 -6.06 36.7 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.169 -0.612 . . . . 63.01 111.113 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 5.7 ptmm? -93.75 -8.62 40.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 75.02 110.243 173.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.93 -32.2 13.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.388 -0.597 . . . . 75.33 109.388 -178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.8 mt -70.78 134.96 29.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 115.045 -0.98 . . . . 72.44 110.24 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.882 ' HG2' ' HG2' ' A' ' 51' ' ' GLU . 13.8 ptpt -139.58 -174.47 3.9 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.469 -0.787 . . . . 73.53 109.02 -177.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.613 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 11.6 ptt180 -58.01 -37.09 73.65 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.953 0.353 . . . . 71.53 111.953 -176.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 70.4 p -71.3 -36.61 71.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.013 0.435 . . . . 60.53 110.7 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.882 ' HG2' ' HG2' ' A' ' 48' ' ' LYS . 15.0 mm-40 -68.71 -37.0 79.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.378 0.608 . . . . 73.43 109.98 -179.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' OH ' ' HA ' ' A' ' 72' ' ' ASN . 10.0 t80 -69.67 -39.29 77.1 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.167 -0.924 . . . . 65.21 110.204 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.56 -39.21 79.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.709 -0.678 . . . . 75.31 110.916 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 50' ' ' THR . 63.2 mttm -56.18 -51.87 66.44 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.305 0.574 . . . . 75.4 110.194 177.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.643 ' CE2' HD21 ' A' ' 71' ' ' LEU . 61.8 t80 -62.23 -44.55 96.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.929 -1.032 . . . . 63.54 111.014 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.83 -44.67 96.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.369 -0.378 . . . . 73.42 111.252 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 67.0 m-20 -60.63 -50.62 72.79 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 73.43 111.567 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -70.15 -30.4 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 72.3 111.368 -176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -77.92 -38.93 44.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.803 0.335 . . . . 72.35 110.77 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 100' ' ' ALA . . . -70.03 -26.37 74.39 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 116.096 -0.502 . . . . 53.34 112.952 -177.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' ASN . 89.8 mt -78.51 -7.76 57.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.607 -0.349 . . . . 70.52 111.324 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 p -124.15 4.2 8.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.915 0.339 . . . . 74.13 111.915 -176.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -143.52 165.15 28.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.709 0.29 . . . . 74.15 111.168 -174.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 74.4 m -71.28 159.61 34.29 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.251 -0.432 . . . . 73.22 110.939 177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.498 ' H ' HD12 ' A' ' 103' ' ' LEU . 90.2 t80 -58.29 -41.38 84.27 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.994 -0.548 . . . . 74.33 111.522 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.459 ' HG3' HH21 ' A' ' 69' ' ' ARG . 39.9 tt0 -71.3 -31.42 67.42 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.099 -0.64 . . . . 62.43 110.554 -177.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.409 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 4.2 m -61.31 -46.63 89.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.04 0.448 . . . . 71.12 110.328 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 98' ' ' LEU . 13.4 tt -73.84 -33.18 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.492 . . . . 70.35 110.673 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 HH21 ' HG3' ' A' ' 66' ' ' GLU . 51.6 ttp85 -62.6 -45.81 91.17 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.735 0.303 . . . . 71.34 111.143 178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -69.94 -33.89 72.73 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.963 -0.384 . . . . 74.03 109.963 179.39 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD21 ' CE2' ' A' ' 55' ' ' PHE . 18.1 tp -56.37 -49.34 74.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 74.53 110.618 172.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' OH ' ' A' ' 52' ' ' TYR . 53.8 t30 -55.25 -40.63 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.453 -0.794 . . . . 63.14 110.921 178.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -64.71 -38.68 91.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.849 -0.614 . . . . 70.23 110.907 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -67.06 -48.99 66.58 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.84 0.352 . . . . 73.22 110.747 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.425 HD12 ' HE1' ' A' ' 52' ' ' TYR . 64.3 mt -66.75 -35.57 75.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 70.25 111.084 -177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.448 ' HA ' HG21 ' A' ' 93' ' ' THR . 93.7 mtt180 -63.88 -40.69 97.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.281 . . . . 75.24 110.711 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -69.11 -40.61 78.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.471 -0.331 . . . . 61.13 110.432 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.12 94.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 72.24 111.588 -179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -74.27 -31.47 62.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.488 -0.324 . . . . 74.24 111.363 178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.07 -39.26 94.19 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.84 -0.43 . . . . 73.05 109.84 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 7.1 m-20 -62.93 -47.56 82.72 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.495 -0.32 . . . . 70.4 110.247 172.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -55.63 -49.23 73.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 51.42 111.449 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 88' ' ' VAL . 13.4 tt -70.14 -32.46 51.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.028 0.442 . . . . 65.4 110.772 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -72.68 -25.87 61.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.956 -0.565 . . . . 61.43 110.404 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 10.8 mm-40 -94.49 0.54 55.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.069 -0.514 . . . . 71.55 111.384 -177.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.72 27.16 73.63 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.524 -0.846 . . . . 73.21 111.186 -176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -78.13 -52.93 7.97 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.955 -0.758 . . . . 73.32 108.955 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.631 HG11 ' HG ' ' A' ' 44' ' ' LEU . 31.0 m -140.84 163.82 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.158 -0.928 . . . . 75.43 108.85 173.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.7 tt -125.55 70.57 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 122.084 0.945 . . . . 74.45 110.527 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -147.75 147.87 30.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.275 -0.875 . . . . 64.25 111.035 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -122.52 85.91 48.58 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.742 -0.663 . . . . 64.43 109.889 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' ARG . 71.7 Cg_endo -75.29 -1.81 11.76 Favored 'Trans proline' 0 CA--C 1.52 -0.191 0 C-N-CA 123.004 2.47 . . . . 72.3 111.78 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.448 HG21 ' HA ' ' A' ' 76' ' ' ARG . 9.9 p -84.95 7.49 20.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.269 -0.878 . . . . 72.25 111.509 -176.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.499 ' HD2' ' HG2' ' A' ' 95' ' ' LYS . 63.9 t80 -85.31 159.46 20.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.864 -0.791 . . . . 71.11 108.864 175.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' HG2' ' HD2' ' A' ' 49' ' ' ARG . 32.6 mmmt 68.22 18.87 9.21 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.677 0.391 . . . . 75.3 110.138 -177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.82 131.2 50.25 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.515 -0.766 . . . . 71.14 111.232 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.31 106.35 4.74 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.656 -0.702 . . . . 75.25 109.665 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 68' ' ' ILE . 69.3 mt -79.57 72.1 6.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.632 0.729 . . . . 61.52 109.354 179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.62 61.63 3.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.821 -1.082 . . . . 73.52 110.521 -174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 60' ' ' GLY . . . -87.11 88.85 7.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.79 -0.641 . . . . 72.25 110.758 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.0 t -80.17 67.42 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.566 0.698 . . . . 74.44 109.227 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 79.0 t -141.93 -36.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 114.871 -1.059 . . . . 74.44 109.827 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.498 HD12 ' H ' ' A' ' 65' ' ' TYR . 95.4 mt -125.12 39.41 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.41 112.049 -174.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -59.3 112.56 1.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.127 -0.694 . . . . 74.01 109.127 172.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -130.67 120.66 24.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.188 0.518 . . . . 62.53 111.869 -170.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -101.76 136.49 41.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.532 -0.758 . . . . 70.44 109.45 174.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.32 154.67 27.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.66 0.267 . . . . 72.34 110.934 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -135.03 133.37 39.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.116 -0.493 . . . . 52.44 110.604 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -128.75 125.1 37.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.42 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.245 0.819 0 CA-C-O 118.724 -0.655 . . . . 73.53 109.672 174.536 . . . . . . . . 0 0 . 1 stop_ save_