data_1rg6_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 1rg6 _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 ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.816 0.341 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.4 p -61.28 177.13 0.39 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.321 -0.862 . . . . 0.0 111.243 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 10' ' ' ILE . 88.1 mt -68.57 -34.32 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.91 -0.493 . . . . 0.0 111.12 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.2 t -51.42 -56.73 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 O-C-N 121.107 -0.996 . . . . 0.0 111.123 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -59.95 -39.37 85.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.423 -0.798 . . . . 0.0 110.938 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.92 -40.83 90.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.509 -0.745 . . . . 0.0 111.476 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.265 -0.897 . . . . 0.0 110.483 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.0 94.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.47 -0.769 . . . . 0.0 109.513 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.0 -32.18 70.62 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.216 0.532 . . . . 0.0 110.265 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.5 tp -92.73 13.97 18.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.555 -0.716 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.51 72.7 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -126.53 144.23 50.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.451 -1.029 . . . . 0.0 111.023 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -161.13 28.23 0.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.577 -0.702 . . . . 0.0 110.098 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -110.76 -19.72 12.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.457 -0.777 . . . . 0.0 111.53 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.2 m -95.07 -0.03 53.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.185 -0.947 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.99 -40.13 88.11 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.225 -0.922 . . . . 0.0 110.683 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -53.6 -38.52 64.05 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.217 -0.927 . . . . 0.0 112.302 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.823 -1.173 . . . . 0.0 110.094 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE2' HD12 ' A' ' 50' ' ' ILE . 59.3 m-85 -65.13 -40.0 93.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.404 -0.81 . . . . 0.0 110.774 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -62.08 -48.51 79.89 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.69 -0.631 . . . . 0.0 111.037 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -68.83 -9.7 52.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.322 -0.862 . . . . 0.0 111.74 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.33 -14.14 20.36 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.941 -1.099 . . . . 0.0 111.623 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.98 52.31 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -109.25 116.5 32.01 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.362 -1.081 . . . . 0.0 109.517 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -134.33 29.83 3.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.518 -0.739 . . . . 0.0 111.862 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.3 p -149.5 143.03 25.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.055 -1.028 . . . . 0.0 110.805 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.23 -31.07 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -60.01 -26.28 65.95 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.96 -26.88 64.32 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.532 -0.73 . . . . 0.0 110.472 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 37' ' ' ILE . 44.8 pt -109.29 11.53 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.47 -0.768 . . . . 0.0 112.476 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.883 -1.136 . . . . 0.0 112.299 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -8.96 20.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.034 -1.041 . . . . 0.0 112.287 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -60.09 140.09 57.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.158 -0.964 . . . . 0.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 t -100.73 -176.61 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.645 -0.659 . . . . 0.0 109.52 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.5 mtp -64.36 -40.94 96.83 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.78 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.28 -39.92 78.09 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.129 -0.982 . . . . 0.0 111.248 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.83 -33.93 77.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.706 -0.621 . . . . 0.0 110.174 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.81 -24.22 66.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.602 -0.686 . . . . 0.0 110.768 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.74 86.7 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.283 -0.886 . . . . 0.0 110.406 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -50.61 -23.45 2.58 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.178 -0.951 . . . . 0.0 110.919 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 5.5 tp -73.53 5.66 3.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.427 -0.796 . . . . 0.0 112.456 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 92.0 mttt 76.78 2.03 3.31 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 123.652 0.781 . . . . 0.0 112.095 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 26' ' ' PHE . 94.2 mt -77.28 137.61 64.45 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.952 -1.092 . . . . 0.0 109.651 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -57.87 165.48 6.54 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 O-C-N 123.561 1.295 . . . . 0.0 110.323 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.0 -34.89 73.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.021 -1.049 . . . . 0.0 110.77 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.01 -20.86 60.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.539 -0.725 . . . . 0.0 110.438 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.46 -6.91 36.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 110.769 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -69.97 -40.76 75.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.033 -1.042 . . . . 0.0 109.666 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -76.14 -34.2 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.73 -0.606 . . . . 0.0 110.487 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.91 51.71 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.555 -0.715 . . . . 0.0 111.243 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.78 -45.41 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.396 -0.815 . . . . 0.0 111.05 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -59.95 -39.45 85.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.538 -0.727 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.0 -40.18 88.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.595 -0.69 . . . . 0.0 111.042 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.18 -30.91 73.97 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.68 -40.02 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -1.0 . . . . 0.0 110.625 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.99 -48.86 79.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.52 -36.32 73.66 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.666 -0.646 . . . . 0.0 110.711 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.92 -40.67 89.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.39 -0.819 . . . . 0.0 110.053 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.5 -42.24 98.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.723 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.06 -37.81 80.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.504 -0.748 . . . . 0.0 111.481 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 111.739 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.044 0.45 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -58.77 159.35 6.89 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 122.001 0.905 . . . . 0.0 111.484 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 HG23 ' A' ' 10' ' ' ILE . 87.8 mt -67.79 -25.74 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.6 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.06 -51.48 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.273 -0.892 . . . . 0.0 109.907 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -60.95 -40.01 91.68 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.348 -0.845 . . . . 0.0 110.874 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -60.1 -40.96 91.47 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.539 -0.726 . . . . 0.0 111.384 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.8 -41.65 99.37 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.519 -0.738 . . . . 0.0 110.579 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.62 94.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.511 -0.743 . . . . 0.0 110.017 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.88 -29.48 70.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.68 -0.637 . . . . 0.0 109.58 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -97.38 10.56 39.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.709 -0.62 . . . . 0.0 110.213 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.05 25.68 74.31 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -115.47 158.46 22.52 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.496 -1.003 . . . . 0.0 109.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.369 -0.832 . . . . 0.0 110.718 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -64.79 -20.02 66.14 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.335 -0.853 . . . . 0.0 111.341 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.55 0.39 57.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.198 -0.938 . . . . 0.0 110.994 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.37 -40.08 81.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.336 -0.852 . . . . 0.0 110.997 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.02 -35.92 48.46 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.298 -0.876 . . . . 0.0 111.823 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.24 -40.09 95.31 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.351 -0.843 . . . . 0.0 111.181 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CZ ' HD12 ' A' ' 50' ' ' ILE . 92.3 m-85 -69.87 -40.05 75.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.339 -0.851 . . . . 0.0 110.383 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p -69.63 -41.54 75.5 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.788 -0.57 . . . . 0.0 111.092 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -67.54 -17.62 64.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.51 -0.744 . . . . 0.0 111.389 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -98.9 -6.82 28.22 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.12 -0.987 . . . . 0.0 112.375 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.68 6.82 63.6 Favored Glycine 0 N--CA 1.499 2.841 0 C-N-CA 120.032 -1.08 . . . . 0.0 110.555 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.98 115.17 29.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.43 -1.041 . . . . 0.0 109.658 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -132.09 23.3 4.52 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.83 -0.748 . . . . 0.0 112.409 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -145.34 153.13 40.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.577 -1.327 . . . . 0.0 110.808 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 tt -70.3 -33.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.606 -0.684 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -60.03 -39.95 87.69 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' THR . 7.3 pt20 -69.92 -19.2 63.4 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.78 -1.2 . . . . 0.0 110.903 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.8 pt -99.67 3.39 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.253 -0.904 . . . . 0.0 111.376 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.938 -1.101 . . . . 0.0 111.21 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.91 -20.88 17.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.777 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.6 138.69 58.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -109.11 -168.15 1.3 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.4 -0.812 . . . . 0.0 109.794 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.8 -42.37 97.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.808 . . . . 0.0 110.801 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -62.87 -49.51 74.58 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.576 -0.703 . . . . 0.0 111.331 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -61.59 -35.61 78.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.871 -0.518 . . . . 0.0 110.703 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -70.01 -27.52 64.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 110.101 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.61 88.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.363 -0.836 . . . . 0.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.5 p -54.62 -20.59 8.38 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.206 -0.934 . . . . 0.0 110.807 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 3.1 tp -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.42 -0.8 . . . . 0.0 111.809 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 34.7 mtmt 78.41 7.02 2.42 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 121.583 -0.698 . . . . 0.0 111.482 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.42 HD12 ' CZ ' ' A' ' 26' ' ' PHE . 79.3 mt -78.64 144.02 64.27 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.148 -0.97 . . . . 0.0 109.52 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -64.22 169.85 10.14 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 O-C-N 123.575 1.302 . . . . 0.0 109.942 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.05 -34.31 73.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.071 -1.018 . . . . 0.0 110.589 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.93 -20.09 55.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.896 -0.503 . . . . 0.0 110.697 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -102.71 -6.67 22.42 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.476 -0.765 . . . . 0.0 111.249 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -70.01 -40.0 75.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 109.84 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -84.76 -25.04 28.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.666 -0.646 . . . . 0.0 109.935 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -47.43 71.27 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.35 -43.54 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.735 . . . . 0.0 110.522 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -59.05 -39.12 81.08 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.67 -0.644 . . . . 0.0 111.183 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.03 -41.88 93.17 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.599 -0.688 . . . . 0.0 111.338 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.69 -32.4 74.38 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.64 -41.57 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.582 -0.952 . . . . 0.0 110.814 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.247 -0.908 . . . . 0.0 110.682 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.357 -0.84 . . . . 0.0 110.954 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 -43.21 95.56 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.304 -0.872 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.486 -0.759 . . . . 0.0 110.47 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.04 -37.68 80.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.677 -0.639 . . . . 0.0 111.348 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 O-C-N 121.402 -0.811 . . . . 0.0 111.156 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.887 0.375 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 92.3 p -59.17 -164.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 111.28 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.37 -39.92 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.7 -0.625 . . . . 0.0 111.007 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.0 t -59.52 -47.8 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.32 -0.862 . . . . 0.0 110.956 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -59.86 -45.94 90.87 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.189 -0.945 . . . . 0.0 110.988 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.95 -41.44 91.89 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.767 -0.583 . . . . 0.0 111.41 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.87 -44.05 97.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 0.0 111.352 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.2 95.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.428 -0.795 . . . . 0.0 110.325 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -61.66 -29.88 70.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.605 -0.684 . . . . 0.0 110.428 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.77 14.1 31.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.628 -0.67 . . . . 0.0 111.323 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.63 72.79 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.47 156.54 20.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.485 -1.009 . . . . 0.0 109.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -177.38 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.41 -0.806 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -69.19 -22.92 63.87 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.615 -0.678 . . . . 0.0 111.247 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.3 m -89.91 0.69 56.92 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.28 -0.887 . . . . 0.0 110.813 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.04 -39.92 87.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.258 -0.901 . . . . 0.0 110.371 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -50.65 -36.44 35.51 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.286 -0.884 . . . . 0.0 111.585 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -64.36 -39.99 94.97 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.132 -0.98 . . . . 0.0 110.695 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.9 m-85 -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.396 -0.815 . . . . 0.0 111.119 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 t -69.86 -43.0 72.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.414 -0.804 . . . . 0.0 111.827 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -68.4 -15.3 63.51 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.073 -1.017 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -95.61 -7.59 37.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 112.149 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.0 32.14 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.017 -1.052 . . . . 0.0 110.73 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -112.17 116.53 30.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.418 -1.048 . . . . 0.0 110.206 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 p -132.57 25.91 4.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.746 . . . . 0.0 111.158 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 14.0 p -152.9 142.54 21.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.008 . . . . 0.0 110.943 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.2 tt -63.95 -31.54 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.51 -0.744 . . . . 0.0 110.486 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.58 -23.38 62.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.576 -0.702 . . . . 0.0 110.526 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -69.9 -32.35 70.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.458 -0.777 . . . . 0.0 110.093 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.8 pt -106.02 9.11 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.0 112.634 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.78 -40.03 91.04 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.73 -1.231 . . . . 0.0 111.789 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.17 -20.18 19.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.227 -0.921 . . . . 0.0 110.488 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.94 139.95 57.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.206 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -102.43 -172.22 2.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.599 -0.688 . . . . 0.0 109.853 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.4 mtp -62.74 -41.03 99.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.535 -0.728 . . . . 0.0 111.049 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.68 -40.02 84.44 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.263 -0.898 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.87 -36.55 83.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.813 -0.554 . . . . 0.0 110.372 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.05 -27.28 65.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.552 -0.717 . . . . 0.0 111.035 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.08 79.53 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.055 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -52.3 -23.24 5.46 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.345 -0.847 . . . . 0.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -70.38 3.47 2.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.445 -0.785 . . . . 0.0 113.032 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 33.5 tttt 85.19 -4.87 0.9 Allowed 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 118.804 0.729 . . . . 0.0 112.055 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 98.3 mt -77.33 143.75 69.57 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 120.935 -1.103 . . . . 0.0 109.912 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.54 169.42 12.78 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 O-C-N 123.818 1.43 . . . . 0.0 108.969 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.72 -24.81 62.71 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.034 -1.041 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.12 -26.45 68.83 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.51 -0.744 . . . . 0.0 111.876 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -100.26 -6.3 26.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.101 -1.0 . . . . 0.0 111.374 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -70.6 -39.93 73.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.89 -1.131 . . . . 0.0 109.895 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -79.05 -37.31 39.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.841 -0.537 . . . . 0.0 110.92 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.46 79.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.426 -0.797 . . . . 0.0 111.124 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.55 -43.37 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.52 -0.737 . . . . 0.0 110.671 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -60.02 -36.56 77.51 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.583 -0.698 . . . . 0.0 110.358 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.687 -0.633 . . . . 0.0 110.624 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.81 73.97 Favored Glycine 0 N--CA 1.496 2.694 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -43.11 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.564 -0.962 . . . . 0.0 110.387 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.04 -49.47 77.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.412 -0.805 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.51 -0.744 . . . . 0.0 111.287 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.88 -47.41 85.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.429 -0.794 . . . . 0.0 110.585 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -60.0 -45.62 92.14 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 0.0 110.925 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -60.39 -38.75 84.95 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.433 -0.792 . . . . 0.0 111.667 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 121.177 0.513 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.6 p -56.99 171.08 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.927 0.87 . . . . 0.0 111.554 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 HG22 HD13 ' A' ' 10' ' ' ILE . 48.0 mm -68.6 -34.79 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.24 -52.85 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.209 -0.932 . . . . 0.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.171 -0.956 . . . . 0.0 111.777 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.9 -45.63 91.93 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.321 -0.862 . . . . 0.0 111.023 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.0 90.55 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.431 -0.793 . . . . 0.0 110.972 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.48 93.88 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.485 -0.759 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -59.87 -31.7 70.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.743 -0.598 . . . . 0.0 110.909 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -93.59 12.56 24.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.299 -0.876 . . . . 0.0 110.346 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.96 75.87 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 m -122.94 141.04 52.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.629 -0.924 . . . . 0.0 110.63 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.5 m -160.9 25.49 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.564 -0.71 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 t -112.58 -19.6 12.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.277 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.7 m -95.64 1.56 53.68 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.182 -0.949 . . . . 0.0 111.466 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.43 -39.73 76.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.19 -0.944 . . . . 0.0 110.759 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.47 -36.81 55.74 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.365 -0.835 . . . . 0.0 111.8 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.08 -43.61 98.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.115 -0.99 . . . . 0.0 110.967 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.33 -40.06 89.64 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.8 p -64.76 -40.2 94.89 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.42 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.1 m -68.15 -17.23 64.29 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.571 -0.706 . . . . 0.0 111.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -101.64 -12.29 18.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.058 -1.026 . . . . 0.0 112.232 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.06 8.58 57.8 Favored Glycine 0 N--CA 1.501 3.026 0 C-N-CA 120.071 -1.062 . . . . 0.0 110.727 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.12 111.42 23.66 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.305 -1.115 . . . . 0.0 109.503 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -130.81 22.39 4.99 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.43 -0.794 . . . . 0.0 111.501 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -146.95 142.82 27.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.114 -0.991 . . . . 0.0 110.06 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.6 mm -60.08 -39.99 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.506 -0.746 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -51.52 -24.13 4.87 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.0 111.185 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -69.77 -38.36 76.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.466 -0.771 . . . . 0.0 110.432 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.8 pt -102.73 9.05 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.525 -0.735 . . . . 0.0 112.331 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.994 -1.066 . . . . 0.0 111.526 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.51 -20.39 18.42 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.187 -0.946 . . . . 0.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.46 147.08 46.36 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.492 -0.755 . . . . 0.0 110.816 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -102.37 169.72 8.51 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptm -60.79 -40.8 93.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.333 -0.854 . . . . 0.0 110.615 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -64.85 -40.03 94.51 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.421 -0.799 . . . . 0.0 110.339 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -63.9 -32.53 74.09 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.538 0.685 . . . . 0.0 109.506 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.0 -20.88 65.95 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 111.171 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -46.4 77.32 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.157 -0.965 . . . . 0.0 110.721 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -51.9 -21.55 3.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.102 -0.999 . . . . 0.0 110.916 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 6.2 tp -75.96 10.53 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.334 -0.854 . . . . 0.0 112.521 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 15.4 mmtt 77.12 1.85 3.17 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.541 -0.724 . . . . 0.0 112.079 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.69 139.51 62.78 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.881 -1.137 . . . . 0.0 109.87 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.49 171.76 17.03 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 O-C-N 123.68 1.358 . . . . 0.0 109.008 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.62 -23.03 66.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.176 -0.953 . . . . 0.0 111.158 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.99 -36.05 76.33 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.425 -0.797 . . . . 0.0 110.692 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.96 -5.98 25.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 0.0 111.219 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -70.82 -52.41 20.6 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.945 -1.097 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -75.72 -32.66 60.14 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.569 -0.707 . . . . 0.0 110.46 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.94 87.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.0 mt -71.75 -40.13 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.407 -0.808 . . . . 0.0 110.354 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -60.0 -36.86 78.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.632 -0.667 . . . . 0.0 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -60.05 -40.02 87.96 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.699 -0.625 . . . . 0.0 110.828 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.67 -30.11 74.45 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.73 -40.02 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.429 -1.041 . . . . 0.0 110.79 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.03 -50.24 74.51 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.085 -1.01 . . . . 0.0 109.984 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -58.25 -34.69 70.74 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.474 -0.766 . . . . 0.0 110.312 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.827 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -63.56 -40.1 96.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.496 -0.752 . . . . 0.0 111.156 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -60.4 -39.94 89.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.633 -0.667 . . . . 0.0 112.376 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.968 -1.082 . . . . 0.0 111.076 -179.22 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 95.7 p -60.42 166.51 3.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.292 -0.88 . . . . 0.0 111.413 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 HG23 HD12 ' A' ' 10' ' ' ILE . 95.8 mt -68.69 -35.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.806 -0.559 . . . . 0.0 110.69 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -52.26 -55.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.292 -0.88 . . . . 0.0 111.315 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.332 -0.855 . . . . 0.0 111.461 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.02 -40.48 89.44 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.682 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.46 -40.02 95.27 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.396 -0.815 . . . . 0.0 110.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.91 95.46 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 109.616 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -60.09 -28.74 68.08 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.136 0.493 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 tp -93.75 12.88 24.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.547 -0.721 . . . . 0.0 109.692 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.58 27.95 70.56 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.2 m -123.92 136.8 54.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.581 -0.952 . . . . 0.0 110.941 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -153.02 21.75 0.57 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.491 -0.755 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -99.19 -20.2 16.74 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.36 -0.838 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.76 3.64 54.78 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.349 -0.845 . . . . 0.0 111.001 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.93 -41.55 92.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -54.84 -37.78 66.61 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.263 -0.898 . . . . 0.0 111.452 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 54.9 m-85 -62.93 -44.1 96.99 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.078 -1.014 . . . . 0.0 111.71 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.77 -42.25 74.09 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.048 -1.032 . . . . 0.0 111.24 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 28' ' ' THR . 8.8 t -66.12 -39.93 90.3 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.784 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' N ' HG21 ' A' ' 27' ' ' THR . 44.0 m -68.75 -18.4 64.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.505 -0.747 . . . . 0.0 110.936 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -100.32 -12.51 19.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.163 -0.961 . . . . 0.0 112.015 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.26 6.56 58.77 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.7 114.24 26.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.249 -1.148 . . . . 0.0 109.654 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -131.62 29.92 4.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.619 -0.676 . . . . 0.0 111.545 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -155.74 157.22 36.19 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.974 -1.079 . . . . 0.0 111.255 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.98 -39.19 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -54.54 -23.75 17.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.699 -0.625 . . . . 0.0 110.653 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.01 -34.96 73.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.507 -0.745 . . . . 0.0 109.706 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 45.8 pt -116.58 24.82 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.553 -0.717 . . . . 0.0 111.778 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.0 -39.67 86.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.158 -0.964 . . . . 0.0 111.718 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -103.9 -2.63 25.91 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.282 -0.886 . . . . 0.0 111.14 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 8.8 m-85 -62.71 142.15 58.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.08 -1.013 . . . . 0.0 109.573 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.3 m -100.12 177.88 4.95 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.529 -0.732 . . . . 0.0 109.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mtp -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.582 -0.699 . . . . 0.0 110.511 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.68 -40.01 88.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.575 -0.703 . . . . 0.0 109.765 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -61.09 -38.39 86.08 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.25 0.548 . . . . 0.0 110.283 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.95 -26.57 68.65 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.643 -0.661 . . . . 0.0 110.354 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.49 74.86 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 0.0 110.217 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -49.97 -24.76 2.76 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.392 -0.817 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -73.97 8.11 2.23 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.437 -0.789 . . . . 0.0 112.248 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 20.8 mmmt 78.25 1.73 2.72 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 123.411 0.684 . . . . 0.0 111.689 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.64 144.61 77.39 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 120.964 -1.085 . . . . 0.0 109.723 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -84.17 171.63 10.11 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 O-C-N 123.837 1.44 . . . . 0.0 109.049 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.07 -27.25 68.98 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.081 -1.012 . . . . 0.0 111.304 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -35.23 74.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.422 -0.799 . . . . 0.0 110.802 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -98.23 -7.89 28.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.353 -0.842 . . . . 0.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -70.09 -46.31 65.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.968 -1.082 . . . . 0.0 110.605 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 25.0 p80 -76.25 -31.84 58.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.444 -0.785 . . . . 0.0 110.915 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -67.4 -46.83 72.1 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.446 -0.784 . . . . 0.0 111.307 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -72.73 -42.73 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -59.88 -40.33 88.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.561 -0.712 . . . . 0.0 111.436 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.01 -39.93 87.48 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.377 -0.827 . . . . 0.0 111.176 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.33 -30.34 77.25 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.8 mt -65.79 -35.98 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.701 -0.882 . . . . 0.0 110.865 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.93 -50.03 75.35 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.307 -0.871 . . . . 0.0 110.641 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.79 -39.52 85.23 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.36 -0.837 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.89 -33.91 71.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.35 -0.844 . . . . 0.0 111.786 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.4 -40.52 94.7 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.176 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 N--CA 1.499 1.993 0 O-C-N 121.239 -0.913 . . . . 0.0 110.644 179.633 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.801 0.334 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.22 -168.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.764 . . . . 0.0 110.711 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -69.9 -40.0 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.691 . . . . 0.0 111.341 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.76 -55.51 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.994 -1.066 . . . . 0.0 111.294 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -41.95 93.15 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.287 -0.883 . . . . 0.0 112.168 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.91 -46.14 90.32 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.282 -0.886 . . . . 0.0 111.568 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.11 -39.96 94.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.876 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.55 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.257 -0.902 . . . . 0.0 109.7 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -63.22 -26.22 68.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.755 -0.59 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 17.4 tp -99.6 10.48 41.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.514 -0.741 . . . . 0.0 110.074 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.05 29.77 72.26 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.54 151.58 36.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.475 -1.015 . . . . 0.0 110.254 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -173.96 -35.82 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.436 -0.79 . . . . 0.0 110.119 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -59.02 -26.67 64.76 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.523 -0.735 . . . . 0.0 111.43 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 m -89.8 0.48 56.99 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 tp -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 0.0 110.446 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -53.83 -36.67 62.8 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.215 -0.928 . . . . 0.0 111.866 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -62.74 -40.06 96.04 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.093 -1.005 . . . . 0.0 110.256 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -67.32 -40.12 85.91 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.283 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 p -65.13 -39.96 93.77 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.414 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -65.82 -19.42 65.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 111.376 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -99.0 -6.07 29.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 112.139 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.43 10.16 66.01 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.59 112.62 24.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -1.083 . . . . 0.0 109.082 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -134.53 29.99 3.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.698 -0.627 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 p -150.1 142.96 24.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.281 -0.887 . . . . 0.0 110.356 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -66.31 -24.91 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.683 -0.636 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -65.86 -26.13 67.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 6.9 mm100 -67.33 -39.92 85.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 109.654 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 37' ' ' ILE . 42.9 pt -102.44 9.89 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.712 -0.618 . . . . 0.0 112.11 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.97 -37.95 81.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.956 -1.09 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.47 -12.03 21.73 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.373 -0.829 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.2 m-85 -59.2 143.24 49.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.322 -0.861 . . . . 0.0 111.489 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -102.84 178.87 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.797 -0.564 . . . . 0.0 109.571 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.0 mtp -62.63 -40.0 95.61 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.453 -0.779 . . . . 0.0 110.945 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -68.38 -40.0 81.54 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.384 -0.823 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -64.96 -36.76 85.43 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.67 -0.643 . . . . 0.0 111.108 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.98 -25.58 63.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.97 82.59 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.253 -0.905 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.4 p -54.37 -21.11 8.67 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.159 -0.963 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 1.2 tp -75.32 4.81 6.5 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.326 -0.859 . . . . 0.0 112.297 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 52.7 mttm 78.45 4.09 2.64 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 123.687 0.795 . . . . 0.0 112.307 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.24 134.89 70.11 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.917 -1.114 . . . . 0.0 109.354 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.19 168.39 7.74 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 O-C-N 123.637 1.335 . . . . 0.0 109.301 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 84.4 tt0 -69.53 -30.23 68.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.02 -1.05 . . . . 0.0 110.491 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.12 -22.28 62.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.714 -0.616 . . . . 0.0 110.072 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -101.4 -14.38 17.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 111.303 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 19.2 mtm180 -69.69 -40.11 76.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.064 -1.022 . . . . 0.0 110.562 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -79.05 -37.9 37.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.461 -0.774 . . . . 0.0 110.69 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.28 97.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.0 111.373 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -76.62 -40.51 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.337 -0.852 . . . . 0.0 110.767 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -59.96 -39.39 85.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.494 -0.754 . . . . 0.0 110.911 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.0 -41.32 91.85 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.547 -0.721 . . . . 0.0 111.669 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.35 74.85 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.8 -41.27 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.953 . . . . 0.0 110.957 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.0 -49.17 78.73 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.316 -0.865 . . . . 0.0 110.651 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.91 -40.34 88.51 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.553 -0.717 . . . . 0.0 111.161 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 110.408 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -64.46 -39.48 93.89 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.697 -0.627 . . . . 0.0 110.694 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.07 -38.14 81.98 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.538 -0.726 . . . . 0.0 111.798 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.501 2.077 0 O-C-N 121.026 -1.046 . . . . 0.0 110.551 -179.587 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 121.132 0.491 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -59.64 164.94 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.652 0.739 . . . . 0.0 111.205 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.86 -25.86 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.022 -0.424 . . . . 0.0 110.856 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.96 -52.73 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.312 -0.868 . . . . 0.0 109.876 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.405 -0.809 . . . . 0.0 111.072 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.54 94.94 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.442 -0.786 . . . . 0.0 111.331 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.76 -40.21 96.15 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.381 -0.824 . . . . 0.0 111.077 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.18 96.51 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -60.0 -29.59 68.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.876 -0.515 . . . . 0.0 110.401 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.08 17.22 12.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.565 -0.71 . . . . 0.0 110.389 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.57 26.28 66.4 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.8 m -122.21 129.88 52.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.511 -0.994 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -154.14 24.02 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 109.982 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -100.93 -28.36 12.8 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.446 -0.784 . . . . 0.0 110.961 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.7 m -91.91 5.89 48.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.314 -0.866 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.56 -43.36 93.58 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.702 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -51.65 -34.48 38.22 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.33 -0.856 . . . . 0.0 111.447 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.88 -40.02 95.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.002 -1.061 . . . . 0.0 109.884 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 78.4 m-85 -67.64 -39.97 84.61 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.383 -0.823 . . . . 0.0 110.606 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 p -65.31 -41.49 93.98 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.588 -0.695 . . . . 0.0 110.112 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -68.8 -14.54 63.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.63 -0.669 . . . . 0.0 111.246 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -14.89 17.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.078 -1.014 . . . . 0.0 112.028 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.56 19.68 47.69 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.21 114.99 29.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.343 -1.092 . . . . 0.0 109.267 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.9 p -133.08 25.6 4.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.162 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -148.75 139.44 22.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.008 -1.058 . . . . 0.0 110.784 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.32 -39.88 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.531 -0.731 . . . . 0.0 109.855 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -50.92 -23.25 2.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.395 -0.815 . . . . 0.0 111.063 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -70.03 -37.91 75.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.515 -0.74 . . . . 0.0 109.977 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.9 pt -106.07 17.07 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.507 -0.746 . . . . 0.0 112.395 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.95 -39.25 84.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.986 -1.071 . . . . 0.0 112.418 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -101.24 -3.65 28.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.913 -1.117 . . . . 0.0 111.103 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.41 141.75 57.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.28 -0.888 . . . . 0.0 110.777 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 m -102.26 177.8 4.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.608 -0.683 . . . . 0.0 109.881 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.5 mtp -61.21 -43.64 98.56 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.557 -0.714 . . . . 0.0 111.249 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.0 -39.9 90.7 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.39 -0.819 . . . . 0.0 110.06 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.06 -37.98 81.48 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.832 -0.543 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.67 -28.93 69.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.603 -0.685 . . . . 0.0 111.258 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.29 70.17 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.177 -0.952 . . . . 0.0 110.382 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 t -50.01 -25.91 3.81 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.487 -0.758 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 6.8 tp -71.72 2.95 4.56 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.492 -0.755 . . . . 0.0 112.044 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 7.9 mtpt 78.45 0.19 2.57 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 123.312 0.645 . . . . 0.0 111.334 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.412 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 96.7 mt -74.73 133.56 76.41 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.128 -0.983 . . . . 0.0 109.602 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.55 172.01 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 O-C-N 123.683 1.359 . . . . 0.0 109.825 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -22.74 63.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.077 -1.014 . . . . 0.0 111.299 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -60.08 -30.51 69.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.529 -0.732 . . . . 0.0 110.474 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -98.81 -2.79 37.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.51 -0.744 . . . . 0.0 111.748 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -70.23 -49.49 49.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.825 -1.172 . . . . 0.0 110.342 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -75.8 -34.33 60.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.626 -0.671 . . . . 0.0 110.386 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.85 73.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.467 -0.771 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.78 -42.69 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.365 -0.834 . . . . 0.0 111.383 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -59.92 -35.62 75.29 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.06 -40.46 89.54 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.402 -0.811 . . . . 0.0 110.853 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.06 -31.59 66.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mm -63.82 -39.99 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -1.002 . . . . 0.0 110.83 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -50.0 75.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.406 -0.809 . . . . 0.0 111.063 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -60.3 -39.95 88.79 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.405 -0.81 . . . . 0.0 111.487 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -60.52 -43.56 96.97 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 110.032 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.0 -39.12 84.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.694 -0.629 . . . . 0.0 110.102 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.02 -38.86 83.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.692 -0.63 . . . . 0.0 111.135 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 O-C-N 121.41 -0.807 . . . . 0.0 109.918 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -58.98 163.18 3.66 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 122.087 0.946 . . . . 0.0 111.962 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -70.03 -34.63 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.311 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -49.79 -50.6 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 120.937 -1.102 . . . . 0.0 110.474 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -59.95 -39.81 86.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.614 -0.678 . . . . 0.0 110.905 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.94 -49.98 75.54 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.4 -0.812 . . . . 0.0 111.929 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.36 -39.14 86.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.366 -0.834 . . . . 0.0 110.731 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.2 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.354 -0.841 . . . . 0.0 109.385 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.99 -29.95 69.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.784 -0.572 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -100.03 15.17 28.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.323 -0.861 . . . . 0.0 110.617 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.05 73.82 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -122.64 150.23 42.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.482 -1.011 . . . . 0.0 110.124 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -173.85 -36.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.437 -0.789 . . . . 0.0 110.163 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 m -51.16 -24.66 4.36 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.489 -0.757 . . . . 0.0 111.81 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -91.91 2.53 56.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.242 -0.911 . . . . 0.0 111.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.29 -39.95 80.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.201 -0.937 . . . . 0.0 111.186 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.75 -33.56 48.91 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.23 -0.919 . . . . 0.0 111.62 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.06 -42.85 99.78 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 110.77 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 50' ' ' ILE . 86.7 m-85 -69.96 -40.12 75.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.241 -0.912 . . . . 0.0 110.956 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -60.93 -50.04 75.01 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.753 -0.592 . . . . 0.0 111.086 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -66.76 -9.81 40.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.42 -0.8 . . . . 0.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -99.37 -14.63 19.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.021 -1.049 . . . . 0.0 111.821 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.65 14.47 43.62 Favored Glycine 0 N--CA 1.499 2.867 0 C-N-CA 120.106 -1.045 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.38 113.61 27.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.319 -1.106 . . . . 0.0 109.6 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -129.35 22.5 5.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.451 -0.781 . . . . 0.0 112.274 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HB ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -147.36 143.3 27.9 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.88 -1.138 . . . . 0.0 110.086 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 tt -65.12 -38.1 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.727 -0.608 . . . . 0.0 111.023 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' ' HB ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -60.0 -27.27 66.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 110.742 -178.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HG3' ' CB ' ' A' ' 33' ' ' THR . 4.5 mt-30 -64.74 -37.21 86.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.632 -0.667 . . . . 0.0 110.911 -178.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 pt -92.46 26.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.324 -0.86 . . . . 0.0 110.778 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.344 -0.847 . . . . 0.0 112.573 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -108.13 -3.96 18.13 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.962 -1.086 . . . . 0.0 113.035 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -56.66 142.94 38.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.961 -1.087 . . . . 0.0 110.956 -178.518 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -103.41 -179.26 3.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.212 -0.93 . . . . 0.0 110.571 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.66 -40.0 93.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.361 0.6 . . . . 0.0 110.374 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.02 -40.07 75.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.6 -0.688 . . . . 0.0 111.027 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.32 -38.91 88.56 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.882 -0.511 . . . . 0.0 110.741 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.5 -30.25 69.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.287 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.214 -0.929 . . . . 0.0 109.938 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.9 t -51.84 -24.0 5.53 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.261 -0.899 . . . . 0.0 110.08 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -72.17 4.38 3.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.415 -0.803 . . . . 0.0 111.842 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 89.6 mttt 79.34 3.05 2.29 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 123.697 0.799 . . . . 0.0 111.687 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 26' ' ' PHE . 90.4 mt -78.24 142.54 63.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.948 -1.095 . . . . 0.0 109.166 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.17 168.25 25.12 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.754 1.397 . . . . 0.0 108.937 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.34 -27.82 67.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.127 -0.983 . . . . 0.0 110.376 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.05 -30.15 69.0 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.48 -12.11 20.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.575 -0.703 . . . . 0.0 111.016 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -69.74 -40.07 76.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.992 -1.068 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 23.2 p80 -82.9 -28.34 30.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.31 -0.869 . . . . 0.0 110.826 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -70.23 -44.99 67.44 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.394 -0.816 . . . . 0.0 110.978 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -72.82 -40.48 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.717 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.89 -36.83 77.77 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.661 -0.649 . . . . 0.0 110.883 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.1 -39.89 87.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.636 -0.665 . . . . 0.0 111.308 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.34 72.54 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.47 -40.05 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.416 -1.049 . . . . 0.0 110.916 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.99 -50.83 72.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.353 -0.842 . . . . 0.0 110.968 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.02 -38.08 81.65 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.976 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.368 -0.832 . . . . 0.0 109.662 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.61 -40.56 92.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.693 -0.63 . . . . 0.0 109.95 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -62.36 -37.68 86.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.727 -0.608 . . . . 0.0 110.772 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.586 -0.696 . . . . 0.0 110.522 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -57.2 171.31 0.4 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.331 -0.856 . . . . 0.0 111.262 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 10' ' ' ILE . 95.1 mt -70.0 -39.29 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.722 -0.611 . . . . 0.0 111.926 -178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -51.04 -52.65 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 O-C-N 120.94 -1.1 . . . . 0.0 111.277 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -60.0 -40.03 87.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.36 -0.838 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.92 -47.32 86.27 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.545 -0.722 . . . . 0.0 111.32 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.419 -0.801 . . . . 0.0 109.849 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.93 92.99 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.669 -0.644 . . . . 0.0 109.774 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.04 -27.75 67.18 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.747 -0.596 . . . . 0.0 110.122 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.45 10.58 40.53 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.587 -0.696 . . . . 0.0 109.843 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.32 76.13 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -121.27 137.81 54.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.485 -1.009 . . . . 0.0 111.054 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p -158.6 22.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.252 -0.905 . . . . 0.0 110.479 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.1 p -104.43 -20.26 13.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.222 -0.924 . . . . 0.0 111.142 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.3 m -100.06 3.05 43.84 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.297 -0.877 . . . . 0.0 111.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.8 -40.03 78.94 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.199 -0.938 . . . . 0.0 110.543 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -51.73 -33.88 36.63 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.497 -0.752 . . . . 0.0 112.136 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -64.37 -40.65 96.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.28 -0.887 . . . . 0.0 111.113 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -70.0 -41.11 74.8 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.413 -0.805 . . . . 0.0 111.398 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 28' ' ' THR . 8.8 t -70.27 -40.03 74.6 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.443 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.407 ' N ' HG21 ' A' ' 27' ' ' THR . 29.0 m -67.31 -18.71 65.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.502 -0.749 . . . . 0.0 111.269 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -101.64 -8.41 21.84 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.264 -0.898 . . . . 0.0 112.041 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.48 -0.91 63.74 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.493 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.02 111.39 22.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 108.787 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -130.21 23.52 5.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.619 -0.676 . . . . 0.0 111.626 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -147.68 151.28 35.88 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.05 -1.032 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.98 -39.97 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 CA-C-O 121.375 0.607 . . . . 0.0 109.549 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.33 -26.22 11.68 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.765 -0.584 . . . . 0.0 111.507 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mm100 -70.04 -33.3 71.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.438 -0.789 . . . . 0.0 109.956 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 37' ' ' ILE . 45.6 pt -106.23 10.04 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 111.997 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.04 -37.45 79.86 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.0 -1.063 . . . . 0.0 110.866 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -100.36 -16.56 17.6 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.4 -0.813 . . . . 0.0 111.327 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 13.3 m-85 -61.16 143.14 56.07 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.32 -0.863 . . . . 0.0 110.548 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -101.81 -177.85 3.54 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.49 -40.11 96.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.854 -0.529 . . . . 0.0 111.165 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.87 -39.99 75.99 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 110.342 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.94 -35.64 80.79 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.332 0.587 . . . . 0.0 109.701 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.91 -29.94 70.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.744 -0.597 . . . . 0.0 110.433 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.2 77.7 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.304 -0.873 . . . . 0.0 108.925 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -50.04 -27.88 6.21 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.777 -0.577 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 1.1 tp -78.32 10.18 3.26 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.337 -0.852 . . . . 0.0 112.265 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 3.1 mtpp 79.24 5.34 2.2 Favored 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 123.339 0.655 . . . . 0.0 111.964 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 50' ' ' ILE . 87.1 mt -78.29 146.34 70.4 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 120.98 -1.075 . . . . 0.0 109.503 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.83 163.8 10.46 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 O-C-N 123.59 1.311 . . . . 0.0 109.242 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -25.77 66.75 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.138 -0.976 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.07 -36.66 77.84 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.119 0.961 . . . . 0.0 110.289 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -97.35 -16.9 20.05 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.265 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.97 -40.01 75.65 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.031 -1.043 . . . . 0.0 110.911 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -76.45 -39.94 51.91 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.49 -0.756 . . . . 0.0 111.676 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.61 75.71 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.413 -0.804 . . . . 0.0 111.52 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.57 -44.18 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -60.04 -40.05 88.06 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.488 -0.757 . . . . 0.0 110.259 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 0.0 110.241 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -29.02 67.65 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.22 -39.66 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.544 -0.974 . . . . 0.0 110.776 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.03 -47.73 84.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.157 -0.965 . . . . 0.0 110.12 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.94 -39.3 81.22 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.371 -0.831 . . . . 0.0 110.482 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -60.02 -40.03 87.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.764 -0.585 . . . . 0.0 110.426 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.42 -40.03 92.86 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.44 -0.788 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.191 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.146 -0.971 . . . . 0.0 111.071 -179.138 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.828 0.347 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -56.38 179.71 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.445 -0.784 . . . . 0.0 111.222 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.09 -39.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.733 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.37 -55.41 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 O-C-N 121.343 -0.848 . . . . 0.0 111.459 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.342 -0.849 . . . . 0.0 111.087 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.06 -44.59 94.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.474 -0.766 . . . . 0.0 111.801 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.92 -39.97 91.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.212 -0.93 . . . . 0.0 110.799 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.4 96.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.535 -0.728 . . . . 0.0 109.451 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -29.37 69.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.872 -0.518 . . . . 0.0 110.217 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.4 tp -97.77 13.8 29.17 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.94 27.52 73.64 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.5 m -114.41 151.98 32.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.502 -0.999 . . . . 0.0 109.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -173.14 -36.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -60.07 -25.75 65.62 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.47 7.61 35.18 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.212 -0.93 . . . . 0.0 111.248 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.39 -39.96 85.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.293 -0.879 . . . . 0.0 110.257 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -52.71 -37.22 58.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.394 -0.816 . . . . 0.0 112.355 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -63.7 -40.5 96.95 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.789 -1.195 . . . . 0.0 111.051 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -70.1 -41.57 73.85 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.387 -0.821 . . . . 0.0 111.801 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 28' ' ' THR . 8.2 t -66.06 -39.37 90.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 27' ' ' THR . 27.7 m -67.8 -17.41 64.51 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.552 -0.717 . . . . 0.0 111.442 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -98.72 -9.42 24.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.069 -1.019 . . . . 0.0 112.635 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 16.75 57.66 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.82 113.21 25.92 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.378 -1.072 . . . . 0.0 109.365 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -134.71 28.36 3.59 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.09 139.42 22.37 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.215 -0.928 . . . . 0.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.14 -30.1 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.621 -0.674 . . . . 0.0 109.357 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.05 -25.47 65.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.761 -0.587 . . . . 0.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -69.98 -30.0 67.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.584 -0.697 . . . . 0.0 110.064 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.3 pt -111.09 13.43 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 112.543 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.95 -38.3 82.04 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.867 -1.145 . . . . 0.0 110.755 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -98.7 -13.21 20.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.451 -0.781 . . . . 0.0 111.211 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.92 139.92 57.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.253 -0.905 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -101.55 -178.43 3.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.578 -0.701 . . . . 0.0 109.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 98.7 mtp -63.11 -39.91 96.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.529 -0.732 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -67.25 -39.99 86.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.102 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.09 -34.23 77.57 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.271 0.558 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.64 -22.96 64.38 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.572 -0.705 . . . . 0.0 111.3 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.89 84.58 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.11 -0.994 . . . . 0.0 109.844 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -50.52 -24.7 3.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.356 -0.84 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -75.67 8.04 3.29 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 112.13 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 55.7 mttm 70.12 8.91 6.87 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.43 -0.794 . . . . 0.0 112.493 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.54 137.45 59.19 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 109.101 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.35 171.44 16.12 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.639 1.336 . . . . 0.0 109.546 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.11 -28.83 69.11 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.023 -1.048 . . . . 0.0 110.975 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.18 -28.73 68.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.508 -0.745 . . . . 0.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.47 -12.08 18.09 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.65 -0.656 . . . . 0.0 111.148 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -71.63 -45.92 60.64 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -79.06 -27.79 43.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.337 -0.852 . . . . 0.0 110.786 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.79 61.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.413 -0.804 . . . . 0.0 110.987 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.3 mt -71.84 -43.72 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.428 -0.795 . . . . 0.0 110.448 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.424 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 16.5 t90 -59.98 -39.33 85.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.625 -0.672 . . . . 0.0 110.566 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -59.92 -40.03 87.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.616 -0.677 . . . . 0.0 111.29 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.11 59.92 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -68.91 -39.98 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.412 -1.052 . . . . 0.0 110.789 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -60.59 -44.93 95.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.42 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 81.3 m-20 -58.75 -38.01 77.48 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.183 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -50.32 -28.53 8.04 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.633 -0.667 . . . . 0.0 110.748 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.96 -40.82 75.19 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.502 -0.749 . . . . 0.0 111.395 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -65.07 -39.99 94.05 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 N--CA 1.499 1.982 0 O-C-N 121.091 -1.005 . . . . 0.0 111.055 -179.556 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.109 0.48 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.0 p -58.98 -171.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.501 -0.75 . . . . 0.0 110.946 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -70.02 -38.67 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.749 -0.595 . . . . 0.0 111.186 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.4 t -58.19 -50.89 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.401 -0.812 . . . . 0.0 110.851 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -60.01 -42.08 93.55 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.175 -0.953 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.93 -40.71 89.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.432 -0.792 . . . . 0.0 111.493 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.88 87.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.009 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.26 96.71 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.206 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -61.91 -26.04 67.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.609 -0.682 . . . . 0.0 110.56 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -100.1 7.82 44.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.424 -0.797 . . . . 0.0 110.26 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.32 30.8 73.62 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.8 159.48 20.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.906 . . . . 0.0 110.66 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.03 -37.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.371 -0.83 . . . . 0.0 109.934 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -60.5 -23.62 64.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.561 -0.712 . . . . 0.0 111.334 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.26 0.71 57.1 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.256 -0.903 . . . . 0.0 111.221 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.8 -40.76 89.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.27 -0.894 . . . . 0.0 111.058 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -54.86 -37.67 66.53 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.182 -0.949 . . . . 0.0 111.692 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -60.54 -41.16 93.9 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.196 -0.94 . . . . 0.0 110.86 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -69.85 -39.99 76.08 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.405 -0.809 . . . . 0.0 111.357 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -65.93 -40.03 91.04 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.47 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -67.85 -17.3 64.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.584 -0.697 . . . . 0.0 111.526 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.73 -8.57 24.11 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.182 -0.949 . . . . 0.0 112.451 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.6 14.09 55.92 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -99.01 111.81 24.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.279 -1.13 . . . . 0.0 108.813 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.0 p -129.04 26.82 5.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.75 -0.593 . . . . 0.0 110.915 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.66 140.2 16.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.313 -0.867 . . . . 0.0 110.712 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.04 -37.54 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -56.32 -21.23 22.94 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.634 -0.666 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.62 -38.51 80.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.468 -0.77 . . . . 0.0 110.415 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 pt -109.66 19.03 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 119.695 -0.802 . . . . 0.0 112.116 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.08 -36.02 76.46 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.052 -1.03 . . . . 0.0 111.02 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.88 -14.4 21.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.437 -0.789 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 9.8 m-85 -62.29 141.79 58.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.368 -0.832 . . . . 0.0 111.211 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -106.97 -175.91 2.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.669 -0.644 . . . . 0.0 109.427 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.437 ' HE1' ' CD2' ' A' ' 56' ' ' HIS . 64.8 mtt -60.04 -40.19 88.52 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.449 -0.782 . . . . 0.0 111.12 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -66.52 -39.98 88.92 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.212 -0.93 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 75.8 m-20 -64.34 -34.48 78.25 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.642 -0.661 . . . . 0.0 109.853 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.68 -26.69 64.49 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.818 -0.551 . . . . 0.0 111.845 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -46.15 72.27 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.897 -1.127 . . . . 0.0 110.313 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 t -52.75 -23.43 6.77 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.3 -0.875 . . . . 0.0 110.585 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 5.4 tp -73.83 4.02 5.82 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.394 -0.816 . . . . 0.0 112.276 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 25.4 mmmt 77.54 4.29 3.07 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.666 -0.647 . . . . 0.0 111.911 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.0 mt -78.65 152.45 77.91 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.71 -1.244 . . . . 0.0 109.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.81 171.46 8.25 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 O-C-N 123.55 1.29 . . . . 0.0 109.611 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 88.5 tt0 -65.36 -30.26 71.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.14 -0.975 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.11 -27.58 67.14 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.54 -0.725 . . . . 0.0 109.862 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.42 -15.26 18.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.597 -0.689 . . . . 0.0 110.701 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 54.7 mtm-85 -70.01 -45.45 67.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.087 -1.008 . . . . 0.0 110.15 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.437 ' CD2' ' HE1' ' A' ' 42' ' ' MET . 74.2 m80 -72.51 -40.04 67.16 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.434 -0.791 . . . . 0.0 111.668 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.44 85.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.473 -0.767 . . . . 0.0 111.758 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.51 -47.59 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.549 -0.719 . . . . 0.0 111.35 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.05 -37.82 80.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.48 -0.763 . . . . 0.0 111.302 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.82 -40.05 87.12 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.378 -0.826 . . . . 0.0 110.711 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.11 -32.11 69.29 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -40.07 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.429 -1.042 . . . . 0.0 111.114 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -43.33 96.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.334 -0.854 . . . . 0.0 110.26 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.88 -40.1 87.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.306 -0.872 . . . . 0.0 110.506 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.98 -43.81 94.89 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.523 -0.736 . . . . 0.0 110.132 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.17 -36.79 78.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.627 -0.671 . . . . 0.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -59.9 -38.79 83.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.456 -0.778 . . . . 0.0 110.893 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 O-C-N 121.492 -0.755 . . . . 0.0 110.676 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 121.148 0.499 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.6 p -56.81 175.9 0.11 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.426 -0.796 . . . . 0.0 111.307 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.56 -37.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.857 -0.527 . . . . 0.0 110.858 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -50.14 -51.67 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.289 -0.882 . . . . 0.0 111.176 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -60.79 -40.24 91.89 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.449 -0.782 . . . . 0.0 112.056 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.151 -0.968 . . . . 0.0 111.012 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.46 -40.05 95.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.491 -0.756 . . . . 0.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.92 98.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.585 -0.697 . . . . 0.0 109.576 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -59.98 -31.54 70.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.777 -0.577 . . . . 0.0 110.056 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.3 14.39 16.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.489 -0.757 . . . . 0.0 110.435 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.11 72.91 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.86 142.9 51.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.032 . . . . 0.0 110.732 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.34 26.74 0.24 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.4 p -111.23 -15.49 13.63 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.441 -0.787 . . . . 0.0 111.516 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.61 0.04 41.31 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.163 -0.961 . . . . 0.0 111.301 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.02 -40.23 88.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.316 -0.865 . . . . 0.0 110.826 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.37 -36.55 63.98 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.38 -0.825 . . . . 0.0 111.904 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.92 -40.0 93.98 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.076 -1.015 . . . . 0.0 110.299 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 50' ' ' ILE . 87.4 m-85 -69.81 -40.01 76.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.422 -0.799 . . . . 0.0 110.626 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.8 p -64.35 -41.37 96.79 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.267 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 m -67.73 -15.14 63.49 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.669 -0.644 . . . . 0.0 111.113 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' CB ' ' CD1' ' A' ' 31' ' ' LEU . 44.5 mm-40 -100.42 -13.45 18.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.109 -0.994 . . . . 0.0 111.997 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 10.63 56.39 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' CD1' ' CB ' ' A' ' 29' ' ' GLN . 4.6 mp -101.14 114.96 29.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.354 -1.086 . . . . 0.0 109.738 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -129.91 32.54 4.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.633 -0.667 . . . . 0.0 111.154 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 p -155.86 147.81 23.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.19 -0.944 . . . . 0.0 110.702 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.57 -40.03 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.687 -0.633 . . . . 0.0 109.96 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 71.9 m-85 -52.95 -23.51 7.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.54 -0.725 . . . . 0.0 111.096 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.96 -36.27 75.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.745 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 pt -99.95 2.28 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.679 -0.638 . . . . 0.0 112.102 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 57.2 mt-10 -59.92 -37.11 78.53 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.881 -1.137 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -92.47 -24.69 18.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.327 -0.858 . . . . 0.0 110.341 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.01 138.63 57.81 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 110.299 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -172.57 2.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.086 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.82 -42.48 97.79 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.514 -0.741 . . . . 0.0 110.502 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -63.63 -39.92 95.59 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.469 -0.769 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -65.67 -37.97 88.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.865 -0.522 . . . . 0.0 111.409 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.91 -36.37 83.72 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.561 -0.712 . . . . 0.0 110.534 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.85 74.47 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.366 -0.834 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -50.05 -25.5 3.47 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.233 -0.917 . . . . 0.0 110.739 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.5 tp -75.48 10.35 1.72 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.411 -0.805 . . . . 0.0 112.169 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 74.7 mttt 79.97 -0.16 2.08 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 124.244 1.017 . . . . 0.0 111.914 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.42 HD12 ' CE2' ' A' ' 26' ' ' PHE . 70.7 mt -78.58 128.25 78.0 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.004 -1.06 . . . . 0.0 109.337 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.95 166.97 12.99 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 O-C-N 123.575 1.302 . . . . 0.0 110.087 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.01 -26.11 63.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.191 -0.943 . . . . 0.0 111.535 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.02 -35.62 75.47 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.291 -0.88 . . . . 0.0 110.352 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -95.38 -6.11 41.75 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.55 -0.719 . . . . 0.0 110.375 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -70.94 -39.92 72.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.019 -1.051 . . . . 0.0 110.357 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.81 -40.06 55.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.554 -0.716 . . . . 0.0 110.913 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.16 74.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.4 -0.812 . . . . 0.0 111.651 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.34 -46.08 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.455 -0.778 . . . . 0.0 111.244 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -59.96 -40.04 87.65 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.544 -0.722 . . . . 0.0 111.292 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.381 -0.824 . . . . 0.0 111.454 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.12 -26.8 59.14 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.8 mt -67.09 -35.9 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.56 -0.965 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.94 -51.27 70.41 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.353 -0.842 . . . . 0.0 109.996 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -58.06 -38.09 75.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.584 -0.698 . . . . 0.0 110.383 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -60.09 -39.9 87.73 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.52 -0.737 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.04 -42.44 94.43 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.449 -0.782 . . . . 0.0 111.671 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.18 -36.35 83.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.318 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 0.0 110.484 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.059 0.456 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -59.49 169.76 1.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.014 0.912 . . . . 0.0 111.748 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.75 -33.95 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.377 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.86 -52.32 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.109 -0.995 . . . . 0.0 110.636 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 m -60.02 -40.2 88.5 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.289 -0.882 . . . . 0.0 111.364 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.02 -40.1 88.15 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.468 -0.77 . . . . 0.0 110.812 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.65 -39.89 94.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.609 -0.682 . . . . 0.0 110.67 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.86 92.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.44 -0.787 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -60.08 -29.02 68.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.543 -0.723 . . . . 0.0 110.214 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -96.52 13.06 29.31 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.596 -0.69 . . . . 0.0 110.112 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.0 27.68 73.05 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.4 m -116.85 152.46 34.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.445 -1.032 . . . . 0.0 110.091 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -173.01 -34.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.226 -0.921 . . . . 0.0 110.268 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -58.21 -26.41 62.8 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.369 -0.832 . . . . 0.0 111.51 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.5 m -90.05 2.69 54.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.173 -0.954 . . . . 0.0 111.224 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.87 -39.55 81.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.316 -0.865 . . . . 0.0 110.403 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.98 -37.54 45.4 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.256 -0.902 . . . . 0.0 112.472 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -64.33 -42.48 96.27 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.97 -1.081 . . . . 0.0 111.272 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -67.45 -40.0 85.36 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 110.526 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 p -63.7 -41.78 98.07 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -68.68 -14.11 62.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.601 . . . . 0.0 111.328 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -98.95 -13.29 20.02 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.103 -0.998 . . . . 0.0 111.89 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.27 19.98 47.51 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.35 112.82 24.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -1.024 . . . . 0.0 109.408 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 p -125.94 27.17 6.42 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.426 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.42 141.75 16.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.039 -1.038 . . . . 0.0 110.808 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.38 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -51.85 -22.35 3.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.579 -0.701 . . . . 0.0 110.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.83 -38.21 79.67 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.201 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 43.6 pt -114.63 19.09 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.59 -0.694 . . . . 0.0 112.34 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.97 -30.37 69.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.927 -1.108 . . . . 0.0 110.555 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.65 -6.41 21.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.514 -0.741 . . . . 0.0 111.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 3.0 m-85 -58.74 144.37 43.94 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.116 -0.99 . . . . 0.0 110.712 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -104.49 176.02 5.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 110.192 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE3' ' CE3' ' A' ' 59' ' ' TRP . 64.0 mtt -60.65 -42.66 97.43 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.502 -0.749 . . . . 0.0 111.184 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -69.96 -39.44 76.0 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.52 -0.737 . . . . 0.0 110.968 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.66 -39.18 90.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.799 -0.563 . . . . 0.0 110.919 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.44 -17.39 54.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.589 -0.694 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.23 72.33 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.192 -0.942 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -50.26 -28.43 7.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.326 -0.859 . . . . 0.0 110.985 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 3.2 tp -73.59 1.78 9.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.413 -0.804 . . . . 0.0 111.951 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 31.3 mtmt 79.02 4.62 2.34 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 123.452 0.701 . . . . 0.0 112.465 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.5 143.39 68.19 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.051 -1.03 . . . . 0.0 110.098 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.54 165.78 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.755 1.397 . . . . 0.0 109.028 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.92 -20.44 64.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.139 -0.976 . . . . 0.0 110.157 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.37 -36.32 79.89 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 122.207 1.004 . . . . 0.0 110.111 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.52 -4.29 27.01 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.869 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -71.31 -41.74 69.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.949 -1.094 . . . . 0.0 110.337 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 57' ' ' ALA . 9.5 p-80 -83.37 -28.92 28.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.857 . . . . 0.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' N ' ' CD2' ' A' ' 56' ' ' HIS . . . -67.51 -47.91 68.6 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -75.59 -41.03 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.466 -0.771 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CE3' ' HE3' ' A' ' 42' ' ' MET . 90.4 t90 -59.89 -34.83 73.7 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.709 -0.619 . . . . 0.0 111.06 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.76 -40.03 86.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.423 -0.798 . . . . 0.0 110.606 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.0 -30.8 69.75 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.6 mm -60.6 -45.62 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.581 -0.952 . . . . 0.0 110.918 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.48 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 71.6 m-20 -56.63 -38.02 71.53 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.359 -0.838 . . . . 0.0 111.286 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.94 -40.06 87.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.345 -0.847 . . . . 0.0 110.541 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.0 -44.79 94.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.414 -0.804 . . . . 0.0 110.784 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.95 -37.32 79.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.555 -0.716 . . . . 0.0 111.087 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 O-C-N 121.536 -0.728 . . . . 0.0 111.205 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.287 0.565 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p -55.75 175.48 0.08 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.796 0.808 . . . . 0.0 111.645 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.64 -38.29 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.968 -0.458 . . . . 0.0 111.362 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.83 -50.46 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.107 -0.996 . . . . 0.0 111.134 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.244 -0.91 . . . . 0.0 111.378 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.98 -50.03 75.34 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.334 -0.854 . . . . 0.0 111.241 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.63 -39.96 90.17 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.526 -0.734 . . . . 0.0 110.491 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.54 85.41 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.535 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.01 -27.67 67.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.68 . . . . 0.0 110.538 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -95.66 12.87 28.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.406 -0.809 . . . . 0.0 109.994 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.12 29.03 73.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.7 m -123.35 148.29 46.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.483 -1.01 . . . . 0.0 110.505 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.03 31.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.533 -0.73 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -116.73 -19.65 9.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.39 -0.819 . . . . 0.0 111.164 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -96.7 1.31 50.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.92 -40.22 88.14 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.253 -0.904 . . . . 0.0 111.062 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -54.56 -36.24 64.12 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.359 -0.838 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -63.83 -42.11 97.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.142 -0.974 . . . . 0.0 111.199 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CD1' HD23 ' A' ' 48' ' ' LEU . 96.2 m-85 -65.74 -42.76 90.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.242 -0.911 . . . . 0.0 109.956 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 p -64.64 -39.96 94.61 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.471 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -66.78 -18.85 65.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.652 -0.655 . . . . 0.0 111.221 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -100.99 -8.27 22.54 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 112.329 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.67 0.37 56.55 Favored Glycine 0 N--CA 1.501 3.009 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.825 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.25 111.47 23.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.316 -1.108 . . . . 0.0 109.433 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -131.38 21.27 4.77 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.538 -0.726 . . . . 0.0 112.481 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.2 p -139.95 150.66 44.78 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.723 -1.235 . . . . 0.0 110.595 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.6 -25.08 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.423 -0.798 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -69.92 -39.29 76.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 112.163 -178.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.75 -23.74 65.27 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.049 -1.032 . . . . 0.0 110.688 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.2 pt -88.08 11.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -59.94 -37.37 79.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.266 -0.896 . . . . 0.0 112.031 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.503 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.2 p80 -104.5 -12.61 16.4 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.142 -0.974 . . . . 0.0 111.78 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 16.7 m-85 -59.98 140.47 56.72 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -0.967 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 m -107.34 175.87 5.35 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.8 mtp -60.17 -43.85 95.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.554 -0.716 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.53 -0.731 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -66.18 -33.01 74.8 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.489 0.661 . . . . 0.0 109.799 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.81 -30.84 71.13 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.803 -0.561 . . . . 0.0 111.616 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.27 72.05 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.126 -0.984 . . . . 0.0 110.311 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -50.24 -25.65 3.9 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.398 -0.814 . . . . 0.0 110.551 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -74.09 4.51 5.43 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.571 -0.706 . . . . 0.0 111.898 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 39.2 mtmt 74.96 9.7 3.94 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.822 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.61 141.56 60.59 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 120.991 -1.068 . . . . 0.0 109.775 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.14 170.18 18.82 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.738 1.388 . . . . 0.0 109.2 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.95 -28.67 65.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.058 -1.026 . . . . 0.0 110.216 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.96 -27.28 66.69 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.722 -0.611 . . . . 0.0 110.244 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -102.5 -9.56 20.1 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.517 -0.739 . . . . 0.0 111.075 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -70.03 -46.76 64.38 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.977 -1.077 . . . . 0.0 110.712 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -81.53 -26.64 34.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.408 -0.807 . . . . 0.0 110.806 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -44.01 70.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.458 -0.776 . . . . 0.0 109.878 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 HG23 HD13 ' A' ' 58' ' ' ILE . 91.8 mt -73.43 -42.03 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.493 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -60.01 -38.0 81.37 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.573 -0.704 . . . . 0.0 110.768 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.02 -40.12 88.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.538 -0.726 . . . . 0.0 110.851 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.69 69.59 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.08 -40.06 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.46 -1.024 . . . . 0.0 110.997 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.0 -48.12 83.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.336 -0.852 . . . . 0.0 110.766 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.92 -39.56 85.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.477 -0.764 . . . . 0.0 110.675 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.55 -0.719 . . . . 0.0 110.401 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.56 -40.01 80.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.338 -0.851 . . . . 0.0 110.757 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.92 -40.36 96.28 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.307 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.548 0.213 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -61.78 -165.15 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.199 -0.938 . . . . 0.0 110.588 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 26' ' ' PHE . 92.8 mt -69.94 -38.47 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.609 -0.682 . . . . 0.0 111.748 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.43 -56.87 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.074 -1.016 . . . . 0.0 111.217 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -60.02 -40.05 87.93 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.213 -0.929 . . . . 0.0 111.32 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.95 -43.36 95.07 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.474 -0.766 . . . . 0.0 111.428 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.93 -39.99 87.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.356 -0.84 . . . . 0.0 110.64 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.2 90.2 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.562 -0.711 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -60.42 -27.93 67.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.812 -0.555 . . . . 0.0 110.568 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.0 tp -99.67 13.97 31.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.479 -0.763 . . . . 0.0 110.709 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.38 29.46 73.1 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.84 148.13 42.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.607 -0.937 . . . . 0.0 109.688 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 p -171.18 -35.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.411 -0.805 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.7 p -60.26 -21.66 62.14 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.475 -0.765 . . . . 0.0 110.967 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.76 0.0 57.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.249 -0.907 . . . . 0.0 110.848 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.02 -40.58 89.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.369 -0.832 . . . . 0.0 110.952 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.37 -37.39 67.46 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.34 -0.85 . . . . 0.0 112.104 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.54 -41.59 97.57 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.03 -1.044 . . . . 0.0 110.213 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 10' ' ' ILE . 59.6 m-85 -65.18 -39.91 93.56 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.388 -0.82 . . . . 0.0 110.303 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -68.95 -39.94 79.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.679 -0.638 . . . . 0.0 110.281 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.7 m -65.38 -20.49 66.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 111.301 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -99.55 -4.7 30.57 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.192 -0.943 . . . . 0.0 112.638 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.43 73.63 Favored Glycine 0 N--CA 1.499 2.856 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.268 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.62 119.34 38.62 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -1.09 . . . . 0.0 109.433 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 p -125.37 -26.79 3.55 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.95 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.17 159.86 16.01 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.809 -1.182 . . . . 0.0 111.823 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.87 -31.59 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.843 -0.536 . . . . 0.0 110.402 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 37.4 m-85 -58.27 -26.79 63.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.428 -0.795 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -70.04 -34.28 73.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 109.249 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.6 pt -100.03 9.97 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.723 -0.61 . . . . 0.0 112.079 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.97 -35.44 74.98 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.957 -1.09 . . . . 0.0 110.48 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -94.45 -21.56 18.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.431 -0.793 . . . . 0.0 110.421 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -60.83 134.08 56.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.06 -171.24 2.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.5 mtp -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.401 0.619 . . . . 0.0 109.739 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.1 -39.92 86.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.666 -0.646 . . . . 0.0 110.516 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -64.34 -34.8 78.99 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.815 -0.553 . . . . 0.0 110.719 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.8 -26.46 64.27 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.576 -0.702 . . . . 0.0 110.997 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.18 84.48 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.236 -0.915 . . . . 0.0 110.013 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -54.35 -22.55 12.5 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.375 -0.828 . . . . 0.0 110.475 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -72.3 2.96 5.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.484 -0.76 . . . . 0.0 111.912 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 59.3 mttm 75.2 6.96 4.17 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 121.508 -0.745 . . . . 0.0 112.003 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -78.45 144.75 66.45 Favored Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 0.0 109.169 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.43 172.29 13.57 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 O-C-N 123.737 1.388 . . . . 0.0 109.241 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 85.7 tt0 -70.01 -31.95 69.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.035 -1.04 . . . . 0.0 110.792 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -59.88 -22.83 62.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.588 -0.695 . . . . 0.0 110.22 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.52 -10.27 19.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 110.893 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 13.9 mtm180 -71.12 -45.41 63.67 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.935 -1.103 . . . . 0.0 110.492 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.8 -28.91 40.18 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.534 -0.729 . . . . 0.0 110.851 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.57 71.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.557 -0.714 . . . . 0.0 110.372 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.55 -44.03 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.62 -0.675 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.04 -39.67 86.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.656 -0.653 . . . . 0.0 110.739 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.686 -0.634 . . . . 0.0 111.111 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.39 -29.81 74.58 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.26 -37.77 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.549 -0.971 . . . . 0.0 110.415 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.99 -46.87 88.06 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.356 -0.84 . . . . 0.0 110.082 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.562 -0.712 . . . . 0.0 110.423 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -60.0 -41.79 92.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.371 -0.831 . . . . 0.0 110.113 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.83 -38.4 90.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.776 -0.578 . . . . 0.0 110.787 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -35.76 75.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.495 -0.753 . . . . 0.0 111.288 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.503 -0.748 . . . . 0.0 110.704 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.956 0.408 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -163.38 158.12 20.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 108.955 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 99.0 mt -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.286 -0.884 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.2 t -56.38 -45.79 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.487 -0.758 . . . . 0.0 110.484 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -60.21 -43.66 95.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.443 -0.785 . . . . 0.0 111.549 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.471 -0.768 . . . . 0.0 111.331 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.83 -40.1 94.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.539 -0.726 . . . . 0.0 110.671 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.8 93.93 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.374 -0.829 . . . . 0.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -60.63 -27.78 68.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.653 -0.655 . . . . 0.0 110.244 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 tp -96.07 11.13 35.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.444 -0.785 . . . . 0.0 109.998 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.95 30.1 72.36 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -125.12 146.31 49.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.598 -0.942 . . . . 0.0 111.097 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.15 28.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.233 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -111.15 -18.82 12.9 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.476 -0.765 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.01 4.27 54.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.303 -0.873 . . . . 0.0 111.242 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 tp -58.98 -41.08 86.71 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.993 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -55.28 -37.59 67.49 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.157 -0.964 . . . . 0.0 112.829 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -65.12 -40.59 94.68 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.014 -1.054 . . . . 0.0 111.499 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CZ ' HD12 ' A' ' 50' ' ' ILE . 83.5 m-85 -69.97 -40.06 75.62 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.326 -0.859 . . . . 0.0 110.465 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -64.82 -45.34 86.6 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.572 -0.705 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.08 -14.14 61.23 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.494 -0.754 . . . . 0.0 111.414 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -101.11 -10.24 20.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.042 -1.036 . . . . 0.0 112.344 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.37 3.64 56.45 Favored Glycine 0 N--CA 1.499 2.873 0 C-N-CA 119.964 -1.112 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mp -100.35 114.25 27.61 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.223 -1.163 . . . . 0.0 109.317 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -114.94 -20.35 10.57 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 119.602 -0.839 . . . . 0.0 112.151 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.52 159.74 17.82 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.994 -1.066 . . . . 0.0 112.138 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.1 -30.96 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.224 0.535 . . . . 0.0 110.146 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 30.8 m-85 -58.12 -25.07 60.93 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.717 -0.614 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -69.98 -30.64 68.03 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 pt -103.01 5.41 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.638 -0.664 . . . . 0.0 112.233 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 41.7 mm-40 -60.34 -34.46 73.88 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.904 -1.123 . . . . 0.0 111.182 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -91.81 -24.89 19.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.385 -0.822 . . . . 0.0 111.091 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -59.8 136.25 57.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.584 -0.698 . . . . 0.0 110.777 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 m -98.25 -174.34 2.82 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.2 mtp -62.72 -39.96 95.69 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.364 -0.835 . . . . 0.0 110.86 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -68.8 -40.04 79.79 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.72 -36.96 84.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.913 -0.492 . . . . 0.0 110.63 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.44 -35.01 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.527 -0.733 . . . . 0.0 110.756 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.04 70.43 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.9 p -50.36 -27.34 6.12 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.459 -0.776 . . . . 0.0 110.845 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -76.86 14.69 0.79 Allowed 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.298 -0.876 . . . . 0.0 112.648 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 94.1 mttt 78.84 0.02 2.44 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 124.081 0.952 . . . . 0.0 112.183 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.401 HD12 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 mt -78.4 140.77 60.64 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.122 . . . . 0.0 109.242 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.65 173.32 14.1 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.659 1.347 . . . . 0.0 109.101 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.03 -22.43 63.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.041 -1.037 . . . . 0.0 110.398 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.424 -0.797 . . . . 0.0 110.105 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -99.63 0.04 41.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 110.396 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -74.99 -40.48 60.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.87 -1.144 . . . . 0.0 110.163 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -82.76 -31.86 28.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.493 -0.754 . . . . 0.0 110.305 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -45.55 67.96 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.12 -47.41 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.753 -0.592 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -59.97 -38.21 81.86 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.494 -0.754 . . . . 0.0 111.512 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.11 -40.09 88.46 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.38 -0.825 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.76 69.85 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.28 -39.21 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.528 -0.984 . . . . 0.0 110.672 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.87 -48.94 79.67 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.39 -0.819 . . . . 0.0 110.574 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -60.41 -40.82 92.34 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.336 -0.852 . . . . 0.0 110.495 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -62.45 -34.76 77.44 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 110.651 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -59.88 -36.18 76.39 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.685 -0.634 . . . . 0.0 111.337 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.264 -0.897 . . . . 0.0 110.367 -179.35 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.124 0.487 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -58.17 171.47 0.55 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.492 -0.755 . . . . 0.0 110.965 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.95 -36.79 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.88 -0.513 . . . . 0.0 111.383 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.1 t -50.06 -54.95 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.124 -0.985 . . . . 0.0 111.749 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -60.04 -40.03 87.95 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 111.611 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.97 -48.55 81.24 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.289 -0.882 . . . . 0.0 111.489 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.16 -39.88 87.96 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.339 -0.851 . . . . 0.0 110.45 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.76 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.546 -0.721 . . . . 0.0 109.791 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -60.07 -30.47 69.25 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.732 -0.605 . . . . 0.0 110.038 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.8 15.17 17.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.607 -0.683 . . . . 0.0 109.906 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.5 27.92 72.45 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.17 144.9 50.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -1.025 . . . . 0.0 110.656 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.73 32.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.6 -0.688 . . . . 0.0 109.48 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -109.82 -25.22 10.45 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.602 -0.687 . . . . 0.0 110.919 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -95.5 1.55 54.01 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.455 -0.778 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.94 -40.33 88.57 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.314 -0.866 . . . . 0.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -51.43 -34.52 35.33 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.835 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -68.05 -39.96 82.91 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.174 -0.954 . . . . 0.0 111.084 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 50' ' ' ILE . 78.1 m-85 -66.45 -44.43 82.85 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.217 -0.927 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -68.71 -39.99 80.21 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.719 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 m -66.16 -19.66 65.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.581 -0.7 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -99.85 -5.12 29.02 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.223 -0.923 . . . . 0.0 111.98 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.63 -4.95 64.17 Favored Glycine 0 N--CA 1.5 2.917 0 O-C-N 120.982 -1.074 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.52 111.31 22.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -1.158 . . . . 0.0 109.468 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p -132.3 29.43 4.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.663 -0.648 . . . . 0.0 111.013 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 p -148.5 151.46 35.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.203 -0.936 . . . . 0.0 110.408 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.486 -0.758 . . . . 0.0 109.782 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -53.34 -25.39 14.98 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.552 -0.718 . . . . 0.0 110.712 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.03 -33.82 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.611 -0.681 . . . . 0.0 109.883 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 pt -102.08 5.89 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.495 -0.753 . . . . 0.0 112.417 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.01 -37.77 80.7 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.882 -1.136 . . . . 0.0 111.345 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -95.58 -21.15 18.43 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.277 -0.889 . . . . 0.0 111.26 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -61.64 140.02 58.21 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.391 -0.818 . . . . 0.0 110.464 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -99.86 -175.68 3.03 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 109.619 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.7 mtp -61.58 -41.37 97.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.654 -0.654 . . . . 0.0 110.738 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.14 -40.0 82.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.345 -0.847 . . . . 0.0 110.701 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.67 -37.49 84.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.743 -0.598 . . . . 0.0 110.804 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.47 -23.28 66.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.551 -0.718 . . . . 0.0 111.002 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.26 83.91 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.113 -0.992 . . . . 0.0 110.346 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.0 p -51.52 -23.08 3.68 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.373 -0.829 . . . . 0.0 111.023 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 15.1 tp -74.88 8.88 2.17 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.199 -0.938 . . . . 0.0 112.301 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mtpt 78.32 -0.16 2.59 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 123.624 0.77 . . . . 0.0 112.14 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.406 HD13 ' CE2' ' A' ' 26' ' ' PHE . 86.4 mt -76.94 134.35 68.43 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.022 -1.049 . . . . 0.0 109.571 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.43 169.65 16.64 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 O-C-N 123.61 1.321 . . . . 0.0 109.555 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 86.4 tt0 -67.08 -21.89 65.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.262 -0.899 . . . . 0.0 111.164 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.99 -35.5 75.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.408 -0.808 . . . . 0.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -101.0 -2.58 31.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.405 -0.809 . . . . 0.0 111.287 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 21.3 mtm180 -70.0 -43.67 70.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.928 -1.107 . . . . 0.0 109.536 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.85 -23.26 36.5 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.07 -47.36 62.26 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.365 -0.834 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.34 -39.93 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.772 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -60.69 -40.05 90.77 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 111.219 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.467 -0.771 . . . . 0.0 110.377 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.28 69.61 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.43 -40.17 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.167 -1.196 . . . . 0.0 111.456 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.05 -51.32 70.15 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.958 -1.089 . . . . 0.0 110.802 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -60.02 -39.17 84.93 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.509 -0.745 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.716 -0.615 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -69.88 -37.21 75.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.464 -0.773 . . . . 0.0 112.039 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.68 -39.64 85.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.601 -0.687 . . . . 0.0 111.87 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.499 2.008 0 O-C-N 121.108 -0.995 . . . . 0.0 110.511 -179.655 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -59.39 170.13 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.849 0.833 . . . . 0.0 111.725 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.439 HG22 HD11 ' A' ' 10' ' ' ILE . 93.1 mt -68.84 -35.88 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.201 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.1 t -50.08 -56.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 121.198 -0.939 . . . . 0.0 111.575 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.423 -0.798 . . . . 0.0 111.679 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.94 -48.72 80.55 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.358 -0.839 . . . . 0.0 111.678 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.96 -37.54 79.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.85 91.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.391 -0.818 . . . . 0.0 109.714 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.5 -23.74 64.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.579 -0.701 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.59 14.65 31.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.77 28.94 74.1 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -119.23 147.07 44.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.565 -0.962 . . . . 0.0 109.704 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 -36.8 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.366 -0.833 . . . . 0.0 110.087 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.0 m -52.32 -23.96 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.576 -0.703 . . . . 0.0 111.783 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.29 0.07 56.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.152 -0.967 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.232 -0.917 . . . . 0.0 110.338 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.05 -34.61 30.54 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.447 -0.783 . . . . 0.0 111.84 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -68.19 -39.9 82.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.123 -0.986 . . . . 0.0 111.066 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -66.2 -41.27 90.4 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.188 -0.945 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -65.04 -40.02 94.2 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -66.36 -18.3 65.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.757 -0.589 . . . . 0.0 111.263 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.15 -11.64 19.41 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.114 -0.991 . . . . 0.0 112.068 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.01 10.72 59.53 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.29 118.22 36.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.4 p -125.5 -25.57 3.71 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.928 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -98.9 146.82 25.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.977 -1.077 . . . . 0.0 111.676 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.04 -39.96 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.767 -0.583 . . . . 0.0 109.711 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -51.43 -24.91 5.46 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.521 -0.737 . . . . 0.0 111.014 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -69.02 -38.97 79.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.437 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.421 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 39.5 pt -100.81 5.56 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.664 -0.648 . . . . 0.0 112.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 -32.74 71.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.957 -1.089 . . . . 0.0 110.474 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.9 -23.69 18.0 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.525 -0.735 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 22.7 m-85 -58.76 143.03 48.42 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 m -99.26 176.05 5.67 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.05 -42.9 95.44 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.17 -39.97 92.12 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.58 -32.77 74.32 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.778 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -67.04 -39.95 87.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.776 -0.578 . . . . 0.0 110.351 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.5 73.32 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -51.1 -24.3 3.89 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.274 -0.891 . . . . 0.0 110.823 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 2.5 tp -76.97 13.79 0.99 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.348 -0.845 . . . . 0.0 112.183 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 88.4 mttt 79.55 -0.91 2.2 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 124.201 1.0 . . . . 0.0 111.848 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.21 132.62 66.15 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.015 -1.053 . . . . 0.0 109.478 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.52 153.56 76.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 O-C-N 123.752 1.396 . . . . 0.0 109.538 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 20.5 pt-20 -66.34 -15.27 63.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.064 -1.022 . . . . 0.0 111.557 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -60.12 -37.22 79.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.147 -0.971 . . . . 0.0 109.712 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.95 3.15 44.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 110.52 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 16.6 mtp180 -70.59 -48.11 56.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.981 -1.074 . . . . 0.0 110.068 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -81.68 -29.13 33.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 109.975 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.83 -47.41 78.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.85 -40.26 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.601 -0.687 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -60.0 -36.07 76.4 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.389 -0.819 . . . . 0.0 110.92 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.89 -40.13 87.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.453 -0.779 . . . . 0.0 110.877 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.2 76.55 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.45 -37.41 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.546 -0.973 . . . . 0.0 110.627 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -49.44 77.66 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.281 -0.887 . . . . 0.0 110.05 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -59.92 -37.66 80.13 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 110.114 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 80.3 t60 -60.04 -39.91 87.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.606 -0.684 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -71.57 -39.95 70.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.488 -0.758 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.675 -0.641 . . . . 0.0 112.084 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 65' ' ' HIS . 2.5 pp . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.042 -1.036 . . . . 0.0 110.18 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.877 0.37 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 80.6 p -61.0 170.04 1.73 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.118 -0.989 . . . . 0.0 111.809 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 HD12 HG21 ' A' ' 10' ' ' ILE . 86.6 mt -70.09 -21.68 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.755 -0.591 . . . . 0.0 110.654 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.33 -56.01 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.815 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 110.98 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.96 -48.24 82.52 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.409 -0.807 . . . . 0.0 110.686 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.92 -40.11 87.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.499 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.5 96.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.01 -30.82 69.4 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.896 -0.502 . . . . 0.0 110.025 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 tp -92.27 15.4 13.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.659 -0.651 . . . . 0.0 110.043 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.92 26.62 69.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.3 m -124.84 134.8 52.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.55 -0.97 . . . . 0.0 110.775 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -151.87 21.7 0.69 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.506 -0.746 . . . . 0.0 110.195 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -100.04 -19.43 16.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.337 -0.852 . . . . 0.0 111.103 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -97.09 1.84 50.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.308 -0.87 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.81 -41.09 85.97 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.265 -0.897 . . . . 0.0 110.384 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.19 -36.96 61.52 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.418 -0.801 . . . . 0.0 111.814 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -64.25 -43.17 95.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.069 -1.019 . . . . 0.0 111.484 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 50' ' ' ILE . 75.4 m-85 -69.83 -41.11 75.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.082 -1.011 . . . . 0.0 111.571 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -69.75 -39.96 76.42 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.015 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.3 m -65.85 -20.9 66.4 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.636 -0.665 . . . . 0.0 110.697 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -98.62 -7.29 28.29 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.217 -0.927 . . . . 0.0 112.048 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.28 -2.02 67.78 Favored Glycine 0 N--CA 1.5 2.905 0 C-N-CA 120.01 -1.09 . . . . 0.0 110.49 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -89.55 112.39 23.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.406 -1.055 . . . . 0.0 108.816 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -127.58 30.48 5.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.633 -0.667 . . . . 0.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -158.87 148.17 18.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 110.882 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.96 -38.71 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -52.31 -22.88 4.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.617 -0.677 . . . . 0.0 110.83 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.88 -34.63 73.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.492 -0.755 . . . . 0.0 109.226 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.96 16.73 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.66 -0.65 . . . . 0.0 112.276 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.97 -34.95 73.98 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -100.21 -14.63 18.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.447 -0.783 . . . . 0.0 110.828 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.2 144.22 50.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.278 -0.889 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -102.97 177.45 4.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 109.954 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.02 -40.95 91.07 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.505 -0.747 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -67.31 -40.0 85.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.498 -0.751 . . . . 0.0 110.419 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.5 -37.51 87.79 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.338 0.59 . . . . 0.0 110.704 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.59 -26.51 67.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.593 -0.692 . . . . 0.0 111.003 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.92 70.6 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.271 -0.893 . . . . 0.0 110.165 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.2 p -52.33 -24.65 7.92 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.316 -0.865 . . . . 0.0 110.473 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 6.0 tp -74.4 3.8 6.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.521 -0.737 . . . . 0.0 111.657 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 7.6 mtmt 80.01 5.61 1.84 Allowed 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 123.449 0.7 . . . . 0.0 111.769 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 67.4 mt -77.53 144.23 69.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.991 -1.068 . . . . 0.0 109.883 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -79.96 160.43 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 O-C-N 123.641 1.337 . . . . 0.0 109.227 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 86.4 tt0 -63.08 -28.65 70.23 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.099 -1.0 . . . . 0.0 110.272 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -59.95 -31.42 69.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.625 -0.672 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.63 -14.56 18.1 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.731 -0.606 . . . . 0.0 110.998 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -68.67 -44.1 74.77 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 17.7 p80 -81.04 -26.41 36.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.275 -0.89 . . . . 0.0 110.965 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.98 70.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.359 -0.838 . . . . 0.0 109.827 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.2 mt -72.19 -41.64 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.609 -0.682 . . . . 0.0 110.297 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.02 -38.73 83.56 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.555 -0.715 . . . . 0.0 111.061 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 0.0 110.7 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.45 -31.29 73.77 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.41 -38.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.937 . . . . 0.0 110.639 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.09 -48.62 80.97 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.308 -0.87 . . . . 0.0 110.451 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -59.95 -40.01 87.52 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.458 -0.776 . . . . 0.0 110.628 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.03 -44.57 94.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.498 -0.751 . . . . 0.0 110.47 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -62.16 -40.05 94.72 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.43 -39.98 89.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.816 -0.553 . . . . 0.0 112.023 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.212 -0.93 . . . . 0.0 110.747 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.446 0.641 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -61.91 -169.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.751 -0.593 . . . . 0.0 111.001 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.03 -23.28 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.619 -0.675 . . . . 0.0 110.994 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -63.95 -57.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.256 -0.903 . . . . 0.0 109.312 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 m -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.712 -0.618 . . . . 0.0 111.339 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -59.33 -48.79 80.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 111.238 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.34 -40.01 93.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 110.56 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.26 86.55 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.427 -0.796 . . . . 0.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -59.97 -29.47 68.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.712 -0.618 . . . . 0.0 110.326 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 15.28 19.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.484 -0.76 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.89 73.53 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.5 m -120.92 141.15 50.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.489 -1.007 . . . . 0.0 110.503 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.29 34.33 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.465 -0.772 . . . . 0.0 109.313 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.07 -25.79 7.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.534 -0.729 . . . . 0.0 110.884 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.3 m -95.92 6.58 48.53 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.372 -0.83 . . . . 0.0 111.481 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.43 -39.99 81.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.243 -0.911 . . . . 0.0 109.943 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.92 -39.53 74.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.51 -0.744 . . . . 0.0 112.404 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -62.08 -42.62 99.39 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.878 -1.139 . . . . 0.0 111.013 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.15 -40.0 93.78 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -67.99 -39.96 83.17 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.246 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -65.3 -20.08 66.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.688 . . . . 0.0 111.336 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -100.91 -7.99 22.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.113 -0.992 . . . . 0.0 112.25 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.45 57.49 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.985 -1.072 . . . . 0.0 110.844 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.18 112.02 23.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.257 -1.143 . . . . 0.0 109.755 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -129.66 25.98 5.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.521 -0.737 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -149.58 147.52 28.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.144 -0.972 . . . . 0.0 110.315 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.2 -27.78 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 110.257 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 27.8 m-85 -59.98 -28.6 67.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.54 -0.725 . . . . 0.0 110.318 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 9.1 mm100 -69.98 -31.28 68.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.553 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.4 pt -101.84 11.23 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.293 -0.879 . . . . 0.0 112.35 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 78.1 mt-10 -59.96 -38.73 83.32 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.908 -1.12 . . . . 0.0 112.125 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.8 p80 -101.77 -8.76 21.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.022 -1.049 . . . . 0.0 111.513 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 14.2 m-85 -60.7 137.96 58.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.218 -0.926 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -100.71 176.17 5.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.636 . . . . 0.0 109.549 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.17 -39.98 88.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.426 -0.796 . . . . 0.0 110.417 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -69.08 -39.97 78.74 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.519 -0.738 . . . . 0.0 110.656 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.91 -38.3 90.42 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.77 -0.581 . . . . 0.0 111.123 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.08 -22.78 67.01 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.521 -0.737 . . . . 0.0 110.749 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.44 -47.26 76.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.232 -0.917 . . . . 0.0 110.067 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -51.48 -25.51 6.62 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.4 -0.812 . . . . 0.0 110.205 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -73.06 1.95 8.02 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.636 -0.665 . . . . 0.0 111.821 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 36.4 mtmt 79.56 5.93 2.0 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.501 0.72 . . . . 0.0 112.018 179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.2 mt -77.53 134.26 66.17 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.107 -0.995 . . . . 0.0 110.053 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.71 166.79 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 N-CA-C 108.621 -1.338 . . . . 0.0 108.621 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -27.79 68.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.991 -1.068 . . . . 0.0 110.778 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -30.43 69.43 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.543 -0.723 . . . . 0.0 110.141 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.54 -17.54 17.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -65.78 -40.01 91.55 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.116 -0.99 . . . . 0.0 110.947 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 20.0 p80 -81.64 -30.66 32.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.259 -0.901 . . . . 0.0 111.513 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.201 -0.937 . . . . 0.0 110.381 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.36 -44.0 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.7 -0.625 . . . . 0.0 110.98 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -60.1 -40.49 89.83 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.355 -0.841 . . . . 0.0 112.33 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -59.95 -39.58 86.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 111.469 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.82 -29.13 72.63 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.41 -40.67 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.345 -1.091 . . . . 0.0 111.325 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -48.82 80.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.26 -0.9 . . . . 0.0 110.586 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.633 -0.667 . . . . 0.0 111.021 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.97 -41.4 91.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -60.03 -42.77 95.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.632 -0.668 . . . . 0.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -33.06 71.5 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.72 -0.612 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.304 -1.371 0 O-C-N 121.698 -0.626 . . . . 0.0 110.425 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo . . . . . 0 N--CA 1.488 1.158 0 N-CA-C 110.273 -0.703 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 m -73.89 130.05 39.13 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.58 -0.7 . . . . 0.0 109.74 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.33 153.64 46.5 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.54 -0.725 . . . . 0.0 110.3 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.92 17.4 21.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.532 -0.73 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.4 p -61.28 177.13 0.39 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.321 -0.862 . . . . 0.0 111.243 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 10' ' ' ILE . 88.1 mt -68.57 -34.32 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.91 -0.493 . . . . 0.0 111.12 -178.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.2 t -51.42 -56.73 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 O-C-N 121.107 -0.996 . . . . 0.0 111.123 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -59.95 -39.37 85.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.423 -0.798 . . . . 0.0 110.938 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.92 -40.83 90.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.509 -0.745 . . . . 0.0 111.476 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.265 -0.897 . . . . 0.0 110.483 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.0 94.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.47 -0.769 . . . . 0.0 109.513 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.0 -32.18 70.62 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.216 0.532 . . . . 0.0 110.265 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.5 tp -92.73 13.97 18.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.555 -0.716 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.51 72.7 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -126.53 144.23 50.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.451 -1.029 . . . . 0.0 111.023 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -161.13 28.23 0.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.577 -0.702 . . . . 0.0 110.098 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -110.76 -19.72 12.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.457 -0.777 . . . . 0.0 111.53 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.2 m -95.07 -0.03 53.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.185 -0.947 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.99 -40.13 88.11 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.225 -0.922 . . . . 0.0 110.683 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -53.6 -38.52 64.05 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.217 -0.927 . . . . 0.0 112.302 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.823 -1.173 . . . . 0.0 110.094 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' CE2' HD12 ' A' ' 50' ' ' ILE . 59.3 m-85 -65.13 -40.0 93.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.404 -0.81 . . . . 0.0 110.774 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -62.08 -48.51 79.89 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.69 -0.631 . . . . 0.0 111.037 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t -68.83 -9.7 52.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.322 -0.862 . . . . 0.0 111.74 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -98.33 -14.14 20.36 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.941 -1.099 . . . . 0.0 111.623 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.98 52.31 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -109.25 116.5 32.01 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.362 -1.081 . . . . 0.0 109.517 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -134.33 29.83 3.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.518 -0.739 . . . . 0.0 111.862 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.3 p -149.5 143.03 25.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.055 -1.028 . . . . 0.0 110.805 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.23 -31.07 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -60.01 -26.28 65.95 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -69.96 -26.88 64.32 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.532 -0.73 . . . . 0.0 110.472 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 37' ' ' ILE . 44.8 pt -109.29 11.53 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.47 -0.768 . . . . 0.0 112.476 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.883 -1.136 . . . . 0.0 112.299 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -8.96 20.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.034 -1.041 . . . . 0.0 112.287 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -60.09 140.09 57.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.158 -0.964 . . . . 0.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 t -100.73 -176.61 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.645 -0.659 . . . . 0.0 109.52 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.5 mtp -64.36 -40.94 96.83 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.78 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.28 -39.92 78.09 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.129 -0.982 . . . . 0.0 111.248 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.83 -33.93 77.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.706 -0.621 . . . . 0.0 110.174 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -65.81 -24.22 66.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.602 -0.686 . . . . 0.0 110.768 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.74 86.7 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.283 -0.886 . . . . 0.0 110.406 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -50.61 -23.45 2.58 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.178 -0.951 . . . . 0.0 110.919 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 5.5 tp -73.53 5.66 3.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.427 -0.796 . . . . 0.0 112.456 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 92.0 mttt 76.78 2.03 3.31 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 123.652 0.781 . . . . 0.0 112.095 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.433 HD12 ' CE2' ' A' ' 26' ' ' PHE . 94.2 mt -77.28 137.61 64.45 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.952 -1.092 . . . . 0.0 109.651 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -57.87 165.48 6.54 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 O-C-N 123.561 1.295 . . . . 0.0 110.323 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -70.0 -34.89 73.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.021 -1.049 . . . . 0.0 110.77 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.01 -20.86 60.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.539 -0.725 . . . . 0.0 110.438 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -96.46 -6.91 36.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 110.769 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -69.97 -40.76 75.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.033 -1.042 . . . . 0.0 109.666 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -76.14 -34.2 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.73 -0.606 . . . . 0.0 110.487 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.91 51.71 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.555 -0.715 . . . . 0.0 111.243 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.78 -45.41 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.396 -0.815 . . . . 0.0 111.05 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -59.95 -39.45 85.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.538 -0.727 . . . . 0.0 111.465 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.0 -40.18 88.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.595 -0.69 . . . . 0.0 111.042 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.18 -30.91 73.97 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.68 -40.02 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -1.0 . . . . 0.0 110.625 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.99 -48.86 79.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.52 -36.32 73.66 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.666 -0.646 . . . . 0.0 110.711 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.92 -40.67 89.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.39 -0.819 . . . . 0.0 110.053 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.5 -42.24 98.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.723 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.06 -37.81 80.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.504 -0.748 . . . . 0.0 111.481 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -39.93 75.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 111.739 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -119.63 138.71 53.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.387 -0.82 . . . . 0.0 110.818 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -87.99 130.43 34.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.666 -0.646 . . . . 0.0 110.019 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.493 -0.754 . . . . 0.0 110.184 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 N--CA 1.489 1.243 0 N-CA-C 110.444 -0.637 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -119.95 129.98 54.57 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.48 -0.762 . . . . 0.0 110.448 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 51.81 37.07 19.57 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.49 -0.756 . . . . 0.0 111.382 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p -139.55 26.66 2.32 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.616 -0.677 . . . . 0.0 109.794 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -58.77 159.35 6.89 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 122.001 0.905 . . . . 0.0 111.484 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 HG23 ' A' ' 10' ' ' ILE . 87.8 mt -67.79 -25.74 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.6 -178.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.06 -51.48 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.273 -0.892 . . . . 0.0 109.907 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -60.95 -40.01 91.68 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.348 -0.845 . . . . 0.0 110.874 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -60.1 -40.96 91.47 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.539 -0.726 . . . . 0.0 111.384 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 94.7 mt -62.8 -41.65 99.37 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.519 -0.738 . . . . 0.0 110.579 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.62 94.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.511 -0.743 . . . . 0.0 110.017 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.88 -29.48 70.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.68 -0.637 . . . . 0.0 109.58 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.1 tp -97.38 10.56 39.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.709 -0.62 . . . . 0.0 110.213 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.05 25.68 74.31 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -115.47 158.46 22.52 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.496 -1.003 . . . . 0.0 109.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.369 -0.832 . . . . 0.0 110.718 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -64.79 -20.02 66.14 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.335 -0.853 . . . . 0.0 111.341 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.55 0.39 57.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.198 -0.938 . . . . 0.0 110.994 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.37 -40.08 81.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.336 -0.852 . . . . 0.0 110.997 -178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.02 -35.92 48.46 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.298 -0.876 . . . . 0.0 111.823 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.24 -40.09 95.31 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.351 -0.843 . . . . 0.0 111.181 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CZ ' HD12 ' A' ' 50' ' ' ILE . 92.3 m-85 -69.87 -40.05 75.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.339 -0.851 . . . . 0.0 110.383 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p -69.63 -41.54 75.5 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.788 -0.57 . . . . 0.0 111.092 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -67.54 -17.62 64.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.51 -0.744 . . . . 0.0 111.389 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -98.9 -6.82 28.22 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.12 -0.987 . . . . 0.0 112.375 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.68 6.82 63.6 Favored Glycine 0 N--CA 1.499 2.841 0 C-N-CA 120.032 -1.08 . . . . 0.0 110.555 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.98 115.17 29.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.43 -1.041 . . . . 0.0 109.658 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -132.09 23.3 4.52 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.83 -0.748 . . . . 0.0 112.409 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -145.34 153.13 40.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.577 -1.327 . . . . 0.0 110.808 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 tt -70.3 -33.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.606 -0.684 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -60.03 -39.95 87.69 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 33' ' ' THR . 7.3 pt20 -69.92 -19.2 63.4 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.78 -1.2 . . . . 0.0 110.903 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.8 pt -99.67 3.39 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.253 -0.904 . . . . 0.0 111.376 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.938 -1.101 . . . . 0.0 111.21 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.91 -20.88 17.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.777 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.6 138.69 58.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -109.11 -168.15 1.3 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.4 -0.812 . . . . 0.0 109.794 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.8 -42.37 97.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.808 . . . . 0.0 110.801 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -62.87 -49.51 74.58 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.576 -0.703 . . . . 0.0 111.331 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -61.59 -35.61 78.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.871 -0.518 . . . . 0.0 110.703 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.4 tp -70.01 -27.52 64.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 110.101 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.61 88.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.363 -0.836 . . . . 0.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.5 p -54.62 -20.59 8.38 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.206 -0.934 . . . . 0.0 110.807 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 3.1 tp -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.42 -0.8 . . . . 0.0 111.809 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 34.7 mtmt 78.41 7.02 2.42 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 121.583 -0.698 . . . . 0.0 111.482 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.42 HD12 ' CZ ' ' A' ' 26' ' ' PHE . 79.3 mt -78.64 144.02 64.27 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.148 -0.97 . . . . 0.0 109.52 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -64.22 169.85 10.14 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 O-C-N 123.575 1.302 . . . . 0.0 109.942 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.05 -34.31 73.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.071 -1.018 . . . . 0.0 110.589 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.93 -20.09 55.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.896 -0.503 . . . . 0.0 110.697 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -102.71 -6.67 22.42 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.476 -0.765 . . . . 0.0 111.249 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -70.01 -40.0 75.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 109.84 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -84.76 -25.04 28.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.666 -0.646 . . . . 0.0 109.935 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.08 -47.43 71.27 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.35 -43.54 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.735 . . . . 0.0 110.522 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -59.05 -39.12 81.08 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.67 -0.644 . . . . 0.0 111.183 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.03 -41.88 93.17 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.599 -0.688 . . . . 0.0 111.338 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.69 -32.4 74.38 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.5 mt -65.64 -41.57 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.582 -0.952 . . . . 0.0 110.814 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.247 -0.908 . . . . 0.0 110.682 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.357 -0.84 . . . . 0.0 110.954 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 -43.21 95.56 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.304 -0.872 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.486 -0.759 . . . . 0.0 110.47 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.04 -37.68 80.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.677 -0.639 . . . . 0.0 111.348 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -29.82 66.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.402 -0.811 . . . . 0.0 111.156 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -96.8 115.66 27.81 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -69.98 -40.05 75.59 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.888 0.851 . . . . 0.0 109.479 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 N--CA 1.494 1.748 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.318 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 N--CA 1.488 1.182 0 N-CA-C 110.386 -0.659 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 p -86.83 -5.2 59.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -140.14 159.85 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.154 -0.966 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -104.46 20.0 19.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.669 -0.645 . . . . 0.0 110.308 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 92.3 p -59.17 -164.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 111.28 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.37 -39.92 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.7 -0.625 . . . . 0.0 111.007 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.0 t -59.52 -47.8 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.32 -0.862 . . . . 0.0 110.956 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -59.86 -45.94 90.87 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.189 -0.945 . . . . 0.0 110.988 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.95 -41.44 91.89 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.767 -0.583 . . . . 0.0 111.41 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.4 mt -62.87 -44.05 97.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 0.0 111.352 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.2 95.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.428 -0.795 . . . . 0.0 110.325 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -61.66 -29.88 70.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.605 -0.684 . . . . 0.0 110.428 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.77 14.1 31.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.628 -0.67 . . . . 0.0 111.323 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.63 72.79 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.47 156.54 20.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.485 -1.009 . . . . 0.0 109.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -177.38 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.41 -0.806 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -69.19 -22.92 63.87 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.615 -0.678 . . . . 0.0 111.247 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.3 m -89.91 0.69 56.92 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.28 -0.887 . . . . 0.0 110.813 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.2 tp -60.04 -39.92 87.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.258 -0.901 . . . . 0.0 110.371 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -50.65 -36.44 35.51 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.286 -0.884 . . . . 0.0 111.585 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -64.36 -39.99 94.97 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.132 -0.98 . . . . 0.0 110.695 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.9 m-85 -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.396 -0.815 . . . . 0.0 111.119 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 t -69.86 -43.0 72.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.414 -0.804 . . . . 0.0 111.827 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -68.4 -15.3 63.51 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.073 -1.017 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -95.61 -7.59 37.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 112.149 -178.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.0 32.14 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.017 -1.052 . . . . 0.0 110.73 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mp -112.17 116.53 30.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.418 -1.048 . . . . 0.0 110.206 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 p -132.57 25.91 4.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.746 . . . . 0.0 111.158 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 14.0 p -152.9 142.54 21.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.008 . . . . 0.0 110.943 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.2 tt -63.95 -31.54 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.51 -0.744 . . . . 0.0 110.486 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.58 -23.38 62.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.576 -0.702 . . . . 0.0 110.526 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -69.9 -32.35 70.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.458 -0.777 . . . . 0.0 110.093 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.8 pt -106.02 9.11 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.0 112.634 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.78 -40.03 91.04 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.73 -1.231 . . . . 0.0 111.789 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.17 -20.18 19.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.227 -0.921 . . . . 0.0 110.488 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.94 139.95 57.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.206 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -102.43 -172.22 2.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.599 -0.688 . . . . 0.0 109.853 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.4 mtp -62.74 -41.03 99.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.535 -0.728 . . . . 0.0 111.049 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.68 -40.02 84.44 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.263 -0.898 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.87 -36.55 83.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.813 -0.554 . . . . 0.0 110.372 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.05 -27.28 65.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.552 -0.717 . . . . 0.0 111.035 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.08 79.53 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.055 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -52.3 -23.24 5.46 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.345 -0.847 . . . . 0.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -70.38 3.47 2.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.445 -0.785 . . . . 0.0 113.032 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 33.5 tttt 85.19 -4.87 0.9 Allowed 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 118.804 0.729 . . . . 0.0 112.055 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 98.3 mt -77.33 143.75 69.57 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 120.935 -1.103 . . . . 0.0 109.912 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -65.54 169.42 12.78 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 O-C-N 123.818 1.43 . . . . 0.0 108.969 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.72 -24.81 62.71 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.034 -1.041 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.12 -26.45 68.83 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.51 -0.744 . . . . 0.0 111.876 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -100.26 -6.3 26.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.101 -1.0 . . . . 0.0 111.374 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.9 mtm180 -70.6 -39.93 73.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.89 -1.131 . . . . 0.0 109.895 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -79.05 -37.31 39.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.841 -0.537 . . . . 0.0 110.92 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.46 79.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.426 -0.797 . . . . 0.0 111.124 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.55 -43.37 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.52 -0.737 . . . . 0.0 110.671 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -60.02 -36.56 77.51 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.583 -0.698 . . . . 0.0 110.358 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.687 -0.633 . . . . 0.0 110.624 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.81 73.97 Favored Glycine 0 N--CA 1.496 2.694 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.1 mt -66.03 -43.11 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.564 -0.962 . . . . 0.0 110.387 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.04 -49.47 77.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.412 -0.805 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.51 -0.744 . . . . 0.0 111.287 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.88 -47.41 85.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.429 -0.794 . . . . 0.0 110.585 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -60.0 -45.62 92.14 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 0.0 110.925 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -60.39 -38.75 84.95 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.433 -0.792 . . . . 0.0 111.667 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -34.72 73.62 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 110.694 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -93.47 111.37 23.02 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.034 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -102.12 117.12 34.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.648 -0.658 . . . . 0.0 109.884 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.6 t80 . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.501 -0.749 . . . . 0.0 110.23 -179.698 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 N--CA 1.487 1.144 0 N-CA-C 110.348 -0.674 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.5 p -128.68 152.65 48.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.626 -0.671 . . . . 0.0 110.007 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -137.55 138.72 39.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.485 -0.76 . . . . 0.0 110.026 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.7 t 50.52 49.93 19.82 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.503 -0.748 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.6 p -56.99 171.08 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.927 0.87 . . . . 0.0 111.554 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 HG22 HD13 ' A' ' 10' ' ' ILE . 48.0 mm -68.6 -34.79 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.24 -52.85 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.209 -0.932 . . . . 0.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.171 -0.956 . . . . 0.0 111.777 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.9 -45.63 91.93 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.321 -0.862 . . . . 0.0 111.023 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.0 90.55 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.431 -0.793 . . . . 0.0 110.972 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.48 93.88 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.485 -0.759 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -59.87 -31.7 70.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.743 -0.598 . . . . 0.0 110.909 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -93.59 12.56 24.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.299 -0.876 . . . . 0.0 110.346 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.96 75.87 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 m -122.94 141.04 52.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.629 -0.924 . . . . 0.0 110.63 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.5 m -160.9 25.49 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.564 -0.71 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 t -112.58 -19.6 12.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.277 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.7 m -95.64 1.56 53.68 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.182 -0.949 . . . . 0.0 111.466 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.43 -39.73 76.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.19 -0.944 . . . . 0.0 110.759 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.47 -36.81 55.74 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.365 -0.835 . . . . 0.0 111.8 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.08 -43.61 98.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.115 -0.99 . . . . 0.0 110.967 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.33 -40.06 89.64 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.8 p -64.76 -40.2 94.89 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.42 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.1 m -68.15 -17.23 64.29 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.571 -0.706 . . . . 0.0 111.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -101.64 -12.29 18.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.058 -1.026 . . . . 0.0 112.232 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.06 8.58 57.8 Favored Glycine 0 N--CA 1.501 3.026 0 C-N-CA 120.071 -1.062 . . . . 0.0 110.727 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -97.12 111.42 23.66 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.305 -1.115 . . . . 0.0 109.503 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -130.81 22.39 4.99 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.43 -0.794 . . . . 0.0 111.501 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -146.95 142.82 27.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.114 -0.991 . . . . 0.0 110.06 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 27.6 mm -60.08 -39.99 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.506 -0.746 . . . . 0.0 109.608 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -51.52 -24.13 4.87 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.0 111.185 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -69.77 -38.36 76.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.466 -0.771 . . . . 0.0 110.432 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.8 pt -102.73 9.05 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.525 -0.735 . . . . 0.0 112.331 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.994 -1.066 . . . . 0.0 111.526 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.51 -20.39 18.42 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.187 -0.946 . . . . 0.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.46 147.08 46.36 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.492 -0.755 . . . . 0.0 110.816 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -102.37 169.72 8.51 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptm -60.79 -40.8 93.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.333 -0.854 . . . . 0.0 110.615 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -64.85 -40.03 94.51 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.421 -0.799 . . . . 0.0 110.339 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -63.9 -32.53 74.09 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.538 0.685 . . . . 0.0 109.506 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 tp -67.0 -20.88 65.95 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 111.171 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -46.4 77.32 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.157 -0.965 . . . . 0.0 110.721 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -51.9 -21.55 3.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.102 -0.999 . . . . 0.0 110.916 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 6.2 tp -75.96 10.53 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.334 -0.854 . . . . 0.0 112.521 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 15.4 mmtt 77.12 1.85 3.17 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.541 -0.724 . . . . 0.0 112.079 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.69 139.51 62.78 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.881 -1.137 . . . . 0.0 109.87 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.49 171.76 17.03 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 O-C-N 123.68 1.358 . . . . 0.0 109.008 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.62 -23.03 66.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.176 -0.953 . . . . 0.0 111.158 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.99 -36.05 76.33 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.425 -0.797 . . . . 0.0 110.692 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.96 -5.98 25.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 0.0 111.219 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -70.82 -52.41 20.6 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.945 -1.097 . . . . 0.0 110.66 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -75.72 -32.66 60.14 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.569 -0.707 . . . . 0.0 110.46 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.94 87.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.0 mt -71.75 -40.13 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.407 -0.808 . . . . 0.0 110.354 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -60.0 -36.86 78.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.632 -0.667 . . . . 0.0 110.722 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -60.05 -40.02 87.96 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.699 -0.625 . . . . 0.0 110.828 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.67 -30.11 74.45 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.73 -40.02 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.429 -1.041 . . . . 0.0 110.79 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.03 -50.24 74.51 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.085 -1.01 . . . . 0.0 109.984 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -58.25 -34.69 70.74 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.474 -0.766 . . . . 0.0 110.312 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.827 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -63.56 -40.1 96.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.496 -0.752 . . . . 0.0 111.156 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -60.4 -39.94 89.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.633 -0.667 . . . . 0.0 112.376 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.21 -17.7 61.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.968 -1.082 . . . . 0.0 111.076 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -91.65 129.92 37.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.8 164.81 31.61 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.609 -0.682 . . . . 0.0 110.096 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.495 1.792 0 O-C-N 121.559 -0.713 . . . . 0.0 110.38 -179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo . . . . . 0 N--CA 1.489 1.233 0 N-CA-C 110.553 -0.595 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.46 -39.98 89.54 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.461 -0.775 . . . . 0.0 110.392 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -109.97 128.9 55.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.531 -0.731 . . . . 0.0 110.008 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.72 19.19 18.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.67 -0.644 . . . . 0.0 110.972 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 95.7 p -60.42 166.51 3.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.292 -0.88 . . . . 0.0 111.413 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG23 HD12 ' A' ' 10' ' ' ILE . 95.8 mt -68.69 -35.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.806 -0.559 . . . . 0.0 110.69 -179.108 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.3 t -52.26 -55.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.292 -0.88 . . . . 0.0 111.315 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.332 -0.855 . . . . 0.0 111.461 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.02 -40.48 89.44 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.682 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.46 -40.02 95.27 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.396 -0.815 . . . . 0.0 110.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.91 95.46 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 109.616 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -60.09 -28.74 68.08 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.136 0.493 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 tp -93.75 12.88 24.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.547 -0.721 . . . . 0.0 109.692 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.58 27.95 70.56 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.2 m -123.92 136.8 54.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.581 -0.952 . . . . 0.0 110.941 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -153.02 21.75 0.57 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.491 -0.755 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -99.19 -20.2 16.74 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.36 -0.838 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.76 3.64 54.78 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.349 -0.845 . . . . 0.0 111.001 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.93 -41.55 92.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -54.84 -37.78 66.61 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.263 -0.898 . . . . 0.0 111.452 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 54.9 m-85 -62.93 -44.1 96.99 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.078 -1.014 . . . . 0.0 111.71 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.77 -42.25 74.09 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.048 -1.032 . . . . 0.0 111.24 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.401 HG21 ' N ' ' A' ' 28' ' ' THR . 8.8 t -66.12 -39.93 90.3 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.784 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' N ' HG21 ' A' ' 27' ' ' THR . 44.0 m -68.75 -18.4 64.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.505 -0.747 . . . . 0.0 110.936 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -100.32 -12.51 19.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.163 -0.961 . . . . 0.0 112.015 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.26 6.56 58.77 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.7 114.24 26.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.249 -1.148 . . . . 0.0 109.654 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -131.62 29.92 4.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.619 -0.676 . . . . 0.0 111.545 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -155.74 157.22 36.19 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.974 -1.079 . . . . 0.0 111.255 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.98 -39.19 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -54.54 -23.75 17.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.699 -0.625 . . . . 0.0 110.653 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.01 -34.96 73.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.507 -0.745 . . . . 0.0 109.706 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.461 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 45.8 pt -116.58 24.82 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.553 -0.717 . . . . 0.0 111.778 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -60.0 -39.67 86.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.158 -0.964 . . . . 0.0 111.718 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -103.9 -2.63 25.91 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.282 -0.886 . . . . 0.0 111.14 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 8.8 m-85 -62.71 142.15 58.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.08 -1.013 . . . . 0.0 109.573 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.3 m -100.12 177.88 4.95 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.529 -0.732 . . . . 0.0 109.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mtp -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.582 -0.699 . . . . 0.0 110.511 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.68 -40.01 88.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.575 -0.703 . . . . 0.0 109.765 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -61.09 -38.39 86.08 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.25 0.548 . . . . 0.0 110.283 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.95 -26.57 68.65 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.643 -0.661 . . . . 0.0 110.354 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.49 74.86 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 0.0 110.217 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -49.97 -24.76 2.76 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.392 -0.817 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -73.97 8.11 2.23 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.437 -0.789 . . . . 0.0 112.248 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 20.8 mmmt 78.25 1.73 2.72 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 123.411 0.684 . . . . 0.0 111.689 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 82.6 mt -75.64 144.61 77.39 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 120.964 -1.085 . . . . 0.0 109.723 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -84.17 171.63 10.11 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 O-C-N 123.837 1.44 . . . . 0.0 109.049 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.07 -27.25 68.98 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.081 -1.012 . . . . 0.0 111.304 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -35.23 74.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.422 -0.799 . . . . 0.0 110.802 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -98.23 -7.89 28.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.353 -0.842 . . . . 0.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -70.09 -46.31 65.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.968 -1.082 . . . . 0.0 110.605 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 25.0 p80 -76.25 -31.84 58.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.444 -0.785 . . . . 0.0 110.915 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -67.4 -46.83 72.1 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.446 -0.784 . . . . 0.0 111.307 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -72.73 -42.73 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -59.88 -40.33 88.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.561 -0.712 . . . . 0.0 111.436 -178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.01 -39.93 87.48 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.377 -0.827 . . . . 0.0 111.176 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.33 -30.34 77.25 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.8 mt -65.79 -35.98 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.701 -0.882 . . . . 0.0 110.865 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.93 -50.03 75.35 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.307 -0.871 . . . . 0.0 110.641 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.79 -39.52 85.23 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.36 -0.837 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.89 -33.91 71.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.35 -0.844 . . . . 0.0 111.786 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.4 -40.52 94.7 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.176 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.83 -21.66 51.17 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.239 -0.913 . . . . 0.0 110.644 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.04 -41.69 92.81 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.5 -0.75 . . . . 0.0 110.925 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -120.49 128.77 53.44 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.363 -0.836 . . . . 0.0 110.232 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.5 t80 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.461 -0.774 . . . . 0.0 110.216 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo . . . . . 0 N--CA 1.482 0.837 0 N-CA-C 110.336 -0.679 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.4 m -68.86 -39.98 79.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.715 -0.616 . . . . 0.0 110.939 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -118.59 132.63 56.19 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.287 -0.883 . . . . 0.0 110.866 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.09 30.85 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.718 -0.614 . . . . 0.0 110.12 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.22 -168.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.764 . . . . 0.0 110.711 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -69.9 -40.0 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.691 . . . . 0.0 111.341 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.76 -55.51 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.994 -1.066 . . . . 0.0 111.294 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -41.95 93.15 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.287 -0.883 . . . . 0.0 112.168 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.91 -46.14 90.32 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.282 -0.886 . . . . 0.0 111.568 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.11 -39.96 94.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.876 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.55 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.257 -0.902 . . . . 0.0 109.7 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -63.22 -26.22 68.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.755 -0.59 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 17.4 tp -99.6 10.48 41.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.514 -0.741 . . . . 0.0 110.074 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.05 29.77 72.26 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 70.8 m -117.54 151.58 36.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.475 -1.015 . . . . 0.0 110.254 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -173.96 -35.82 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.436 -0.79 . . . . 0.0 110.119 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -59.02 -26.67 64.76 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.523 -0.735 . . . . 0.0 111.43 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 m -89.8 0.48 56.99 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 tp -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 0.0 110.446 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -53.83 -36.67 62.8 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.215 -0.928 . . . . 0.0 111.866 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -62.74 -40.06 96.04 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.093 -1.005 . . . . 0.0 110.256 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -67.32 -40.12 85.91 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.283 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 p -65.13 -39.96 93.77 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.414 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -65.82 -19.42 65.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 111.376 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -99.0 -6.07 29.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 112.139 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.43 10.16 66.01 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.59 112.62 24.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -1.083 . . . . 0.0 109.082 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -134.53 29.99 3.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.698 -0.627 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 p -150.1 142.96 24.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.281 -0.887 . . . . 0.0 110.356 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -66.31 -24.91 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.683 -0.636 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -65.86 -26.13 67.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 6.9 mm100 -67.33 -39.92 85.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 109.654 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 HD11 HG22 ' A' ' 37' ' ' ILE . 42.9 pt -102.44 9.89 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.712 -0.618 . . . . 0.0 112.11 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.97 -37.95 81.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.956 -1.09 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.47 -12.03 21.73 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.373 -0.829 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 7.2 m-85 -59.2 143.24 49.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.322 -0.861 . . . . 0.0 111.489 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -102.84 178.87 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.797 -0.564 . . . . 0.0 109.571 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.0 mtp -62.63 -40.0 95.61 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.453 -0.779 . . . . 0.0 110.945 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -68.38 -40.0 81.54 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.384 -0.823 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -64.96 -36.76 85.43 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.67 -0.643 . . . . 0.0 111.108 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.7 tp -69.98 -25.58 63.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.97 82.59 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.253 -0.905 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.4 p -54.37 -21.11 8.67 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.159 -0.963 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 1.2 tp -75.32 4.81 6.5 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.326 -0.859 . . . . 0.0 112.297 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 52.7 mttm 78.45 4.09 2.64 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 123.687 0.795 . . . . 0.0 112.307 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -76.24 134.89 70.11 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.917 -1.114 . . . . 0.0 109.354 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.19 168.39 7.74 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 O-C-N 123.637 1.335 . . . . 0.0 109.301 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 84.4 tt0 -69.53 -30.23 68.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.02 -1.05 . . . . 0.0 110.491 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.12 -22.28 62.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.714 -0.616 . . . . 0.0 110.072 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -101.4 -14.38 17.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 111.303 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 19.2 mtm180 -69.69 -40.11 76.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.064 -1.022 . . . . 0.0 110.562 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -79.05 -37.9 37.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.461 -0.774 . . . . 0.0 110.69 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.28 97.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.0 111.373 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -76.62 -40.51 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.337 -0.852 . . . . 0.0 110.767 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -59.96 -39.39 85.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.494 -0.754 . . . . 0.0 110.911 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.0 -41.32 91.85 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.547 -0.721 . . . . 0.0 111.669 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.35 74.85 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.8 -41.27 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.953 . . . . 0.0 110.957 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.0 -49.17 78.73 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.316 -0.865 . . . . 0.0 110.651 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.91 -40.34 88.51 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.553 -0.717 . . . . 0.0 111.161 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 110.408 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -64.46 -39.48 93.89 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.697 -0.627 . . . . 0.0 110.694 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.07 -38.14 81.98 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.538 -0.726 . . . . 0.0 111.798 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.76 -23.98 64.38 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.026 -1.046 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -89.8 106.22 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -102.03 129.86 48.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.538 -0.727 . . . . 0.0 109.727 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.57 -0.706 . . . . 0.0 110.327 -179.707 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 N--CA 1.487 1.146 0 N-CA-C 110.507 -0.613 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -139.34 151.61 46.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -148.96 160.53 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.636 -0.665 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.34 23.44 14.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.704 -0.623 . . . . 0.0 110.475 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -59.64 164.94 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.652 0.739 . . . . 0.0 111.205 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.86 -25.86 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.022 -0.424 . . . . 0.0 110.856 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.96 -52.73 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.312 -0.868 . . . . 0.0 109.876 -178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.405 -0.809 . . . . 0.0 111.072 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.54 94.94 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.442 -0.786 . . . . 0.0 111.331 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.76 -40.21 96.15 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.381 -0.824 . . . . 0.0 111.077 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.18 96.51 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -60.0 -29.59 68.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.876 -0.515 . . . . 0.0 110.401 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.08 17.22 12.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.565 -0.71 . . . . 0.0 110.389 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.57 26.28 66.4 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.8 m -122.21 129.88 52.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.511 -0.994 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -154.14 24.02 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 109.982 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -100.93 -28.36 12.8 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.446 -0.784 . . . . 0.0 110.961 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.7 m -91.91 5.89 48.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.314 -0.866 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.56 -43.36 93.58 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.702 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -51.65 -34.48 38.22 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.33 -0.856 . . . . 0.0 111.447 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.88 -40.02 95.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.002 -1.061 . . . . 0.0 109.884 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 78.4 m-85 -67.64 -39.97 84.61 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.383 -0.823 . . . . 0.0 110.606 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 p -65.31 -41.49 93.98 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.588 -0.695 . . . . 0.0 110.112 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -68.8 -14.54 63.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.63 -0.669 . . . . 0.0 111.246 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -14.89 17.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.078 -1.014 . . . . 0.0 112.028 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.56 19.68 47.69 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.21 114.99 29.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.343 -1.092 . . . . 0.0 109.267 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.9 p -133.08 25.6 4.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.162 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -148.75 139.44 22.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.008 -1.058 . . . . 0.0 110.784 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 97.2 mt -60.32 -39.88 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.531 -0.731 . . . . 0.0 109.855 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -50.92 -23.25 2.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.395 -0.815 . . . . 0.0 111.063 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -70.03 -37.91 75.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.515 -0.74 . . . . 0.0 109.977 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.9 pt -106.07 17.07 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.507 -0.746 . . . . 0.0 112.395 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -59.95 -39.25 84.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.986 -1.071 . . . . 0.0 112.418 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -101.24 -3.65 28.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.913 -1.117 . . . . 0.0 111.103 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.41 141.75 57.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.28 -0.888 . . . . 0.0 110.777 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 m -102.26 177.8 4.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.608 -0.683 . . . . 0.0 109.881 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.5 mtp -61.21 -43.64 98.56 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.557 -0.714 . . . . 0.0 111.249 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.0 -39.9 90.7 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.39 -0.819 . . . . 0.0 110.06 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.06 -37.98 81.48 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.832 -0.543 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.67 -28.93 69.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.603 -0.685 . . . . 0.0 111.258 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.29 70.17 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.177 -0.952 . . . . 0.0 110.382 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 t -50.01 -25.91 3.81 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.487 -0.758 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 6.8 tp -71.72 2.95 4.56 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.492 -0.755 . . . . 0.0 112.044 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 7.9 mtpt 78.45 0.19 2.57 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 123.312 0.645 . . . . 0.0 111.334 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.412 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 96.7 mt -74.73 133.56 76.41 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.128 -0.983 . . . . 0.0 109.602 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.55 172.01 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 O-C-N 123.683 1.359 . . . . 0.0 109.825 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -22.74 63.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.077 -1.014 . . . . 0.0 111.299 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -60.08 -30.51 69.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.529 -0.732 . . . . 0.0 110.474 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -98.81 -2.79 37.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.51 -0.744 . . . . 0.0 111.748 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.7 mtm180 -70.23 -49.49 49.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.825 -1.172 . . . . 0.0 110.342 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -75.8 -34.33 60.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.626 -0.671 . . . . 0.0 110.386 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.85 73.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.467 -0.771 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.78 -42.69 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.365 -0.834 . . . . 0.0 111.383 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -59.92 -35.62 75.29 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.06 -40.46 89.54 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.402 -0.811 . . . . 0.0 110.853 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.06 -31.59 66.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mm -63.82 -39.99 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -1.002 . . . . 0.0 110.83 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -50.0 75.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.406 -0.809 . . . . 0.0 111.063 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -60.3 -39.95 88.79 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.405 -0.81 . . . . 0.0 111.487 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -60.52 -43.56 96.97 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 110.032 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.0 -39.12 84.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.694 -0.629 . . . . 0.0 110.102 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.02 -38.86 83.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.692 -0.63 . . . . 0.0 111.135 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -33.25 71.62 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.41 -0.807 . . . . 0.0 109.918 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -98.98 170.78 8.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.67 -0.644 . . . . 0.0 110.044 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -149.6 161.24 42.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.839 . . . . 0.0 110.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.647 -0.658 . . . . 0.0 110.152 179.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.489 1.258 0 N-CA-C 110.735 -0.525 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -105.34 5.54 31.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.647 -0.658 . . . . 0.0 110.591 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -118.83 131.15 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.252 -0.905 . . . . 0.0 109.78 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.6 p -124.59 38.89 4.1 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -58.98 163.18 3.66 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 122.087 0.946 . . . . 0.0 111.962 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -70.03 -34.63 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.311 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -49.79 -50.6 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 120.937 -1.102 . . . . 0.0 110.474 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -59.95 -39.81 86.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.614 -0.678 . . . . 0.0 110.905 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.94 -49.98 75.54 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.4 -0.812 . . . . 0.0 111.929 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.36 -39.14 86.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.366 -0.834 . . . . 0.0 110.731 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.2 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.354 -0.841 . . . . 0.0 109.385 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.99 -29.95 69.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.784 -0.572 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -100.03 15.17 28.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.323 -0.861 . . . . 0.0 110.617 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.05 73.82 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -122.64 150.23 42.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.482 -1.011 . . . . 0.0 110.124 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -173.85 -36.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.437 -0.789 . . . . 0.0 110.163 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 m -51.16 -24.66 4.36 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.489 -0.757 . . . . 0.0 111.81 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -91.91 2.53 56.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.242 -0.911 . . . . 0.0 111.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.29 -39.95 80.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.201 -0.937 . . . . 0.0 111.186 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.75 -33.56 48.91 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.23 -0.919 . . . . 0.0 111.62 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.06 -42.85 99.78 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 110.77 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CZ ' ' CD1' ' A' ' 50' ' ' ILE . 86.7 m-85 -69.96 -40.12 75.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.241 -0.912 . . . . 0.0 110.956 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -60.93 -50.04 75.01 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.753 -0.592 . . . . 0.0 111.086 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -66.76 -9.81 40.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.42 -0.8 . . . . 0.0 111.872 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.4 mm-40 -99.37 -14.63 19.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.021 -1.049 . . . . 0.0 111.821 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.65 14.47 43.62 Favored Glycine 0 N--CA 1.499 2.867 0 C-N-CA 120.106 -1.045 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.38 113.61 27.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.319 -1.106 . . . . 0.0 109.6 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -129.35 22.5 5.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.451 -0.781 . . . . 0.0 112.274 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.423 ' HB ' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -147.36 143.3 27.9 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.88 -1.138 . . . . 0.0 110.086 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 tt -65.12 -38.1 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.727 -0.608 . . . . 0.0 111.023 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.423 ' CD2' ' HB ' ' A' ' 33' ' ' THR . 0.7 OUTLIER -60.0 -27.27 66.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 110.742 -178.587 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HG3' ' CB ' ' A' ' 33' ' ' THR . 4.5 mt-30 -64.74 -37.21 86.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.632 -0.667 . . . . 0.0 110.911 -178.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 pt -92.46 26.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.324 -0.86 . . . . 0.0 110.778 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.344 -0.847 . . . . 0.0 112.573 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -108.13 -3.96 18.13 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.962 -1.086 . . . . 0.0 113.035 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 0.2 OUTLIER -56.66 142.94 38.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.961 -1.087 . . . . 0.0 110.956 -178.518 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -103.41 -179.26 3.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.212 -0.93 . . . . 0.0 110.571 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.66 -40.0 93.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.361 0.6 . . . . 0.0 110.374 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.02 -40.07 75.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.6 -0.688 . . . . 0.0 111.027 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.32 -38.91 88.56 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.882 -0.511 . . . . 0.0 110.741 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.5 -30.25 69.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.287 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.214 -0.929 . . . . 0.0 109.938 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.9 t -51.84 -24.0 5.53 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.261 -0.899 . . . . 0.0 110.08 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -72.17 4.38 3.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.415 -0.803 . . . . 0.0 111.842 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 89.6 mttt 79.34 3.05 2.29 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 123.697 0.799 . . . . 0.0 111.687 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CD1' ' CZ ' ' A' ' 26' ' ' PHE . 90.4 mt -78.24 142.54 63.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.948 -1.095 . . . . 0.0 109.166 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.17 168.25 25.12 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.754 1.397 . . . . 0.0 108.937 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.34 -27.82 67.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.127 -0.983 . . . . 0.0 110.376 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.05 -30.15 69.0 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.48 -12.11 20.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.575 -0.703 . . . . 0.0 111.016 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -69.74 -40.07 76.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.992 -1.068 . . . . 0.0 110.775 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 23.2 p80 -82.9 -28.34 30.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.31 -0.869 . . . . 0.0 110.826 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -70.23 -44.99 67.44 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.394 -0.816 . . . . 0.0 110.978 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -72.82 -40.48 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.717 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.89 -36.83 77.77 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.661 -0.649 . . . . 0.0 110.883 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.1 -39.89 87.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.636 -0.665 . . . . 0.0 111.308 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.34 72.54 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -67.47 -40.05 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.416 -1.049 . . . . 0.0 110.916 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.99 -50.83 72.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.353 -0.842 . . . . 0.0 110.968 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.02 -38.08 81.65 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.976 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.368 -0.832 . . . . 0.0 109.662 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.61 -40.56 92.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.693 -0.63 . . . . 0.0 109.95 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -62.36 -37.68 86.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.727 -0.608 . . . . 0.0 110.772 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -31.33 68.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.586 -0.696 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -91.2 123.35 34.58 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.06 144.19 52.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.734 -0.604 . . . . 0.0 110.689 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.623 -0.673 . . . . 0.0 110.046 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo . . . . . 0 N--CA 1.486 1.049 0 N-CA-C 110.21 -0.727 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -131.14 164.27 25.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.486 -0.759 . . . . 0.0 110.373 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -137.98 155.21 49.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.743 -0.598 . . . . 0.0 110.082 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 m -108.33 23.62 14.24 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.667 -0.646 . . . . 0.0 110.435 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -57.2 171.31 0.4 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.331 -0.856 . . . . 0.0 111.262 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.437 HG22 HD11 ' A' ' 10' ' ' ILE . 95.1 mt -70.0 -39.29 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.722 -0.611 . . . . 0.0 111.926 -178.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -51.04 -52.65 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 O-C-N 120.94 -1.1 . . . . 0.0 111.277 -178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -60.0 -40.03 87.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.36 -0.838 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.92 -47.32 86.27 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.545 -0.722 . . . . 0.0 111.32 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.419 -0.801 . . . . 0.0 109.849 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.93 92.99 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.669 -0.644 . . . . 0.0 109.774 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.04 -27.75 67.18 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.747 -0.596 . . . . 0.0 110.122 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.45 10.58 40.53 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.587 -0.696 . . . . 0.0 109.843 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.32 76.13 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -121.27 137.81 54.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.485 -1.009 . . . . 0.0 111.054 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p -158.6 22.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.252 -0.905 . . . . 0.0 110.479 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.1 p -104.43 -20.26 13.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.222 -0.924 . . . . 0.0 111.142 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.3 m -100.06 3.05 43.84 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.297 -0.877 . . . . 0.0 111.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.8 -40.03 78.94 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.199 -0.938 . . . . 0.0 110.543 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -51.73 -33.88 36.63 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.497 -0.752 . . . . 0.0 112.136 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -64.37 -40.65 96.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.28 -0.887 . . . . 0.0 111.113 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -70.0 -41.11 74.8 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.413 -0.805 . . . . 0.0 111.398 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.407 HG21 ' N ' ' A' ' 28' ' ' THR . 8.8 t -70.27 -40.03 74.6 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.443 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' N ' HG21 ' A' ' 27' ' ' THR . 29.0 m -67.31 -18.71 65.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.502 -0.749 . . . . 0.0 111.269 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -101.64 -8.41 21.84 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.264 -0.898 . . . . 0.0 112.041 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.48 -0.91 63.74 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.493 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mp -91.02 111.39 22.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 108.787 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.4 p -130.21 23.52 5.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.619 -0.676 . . . . 0.0 111.626 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.0 p -147.68 151.28 35.88 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.05 -1.032 . . . . 0.0 110.509 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.98 -39.97 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 CA-C-O 121.375 0.607 . . . . 0.0 109.549 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.33 -26.22 11.68 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.765 -0.584 . . . . 0.0 111.507 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mm100 -70.04 -33.3 71.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.438 -0.789 . . . . 0.0 109.956 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.406 HD11 HG21 ' A' ' 37' ' ' ILE . 45.6 pt -106.23 10.04 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 111.997 -179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.04 -37.45 79.86 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.0 -1.063 . . . . 0.0 110.866 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -100.36 -16.56 17.6 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.4 -0.813 . . . . 0.0 111.327 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 13.3 m-85 -61.16 143.14 56.07 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.32 -0.863 . . . . 0.0 110.548 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -101.81 -177.85 3.54 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.49 -40.11 96.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.854 -0.529 . . . . 0.0 111.165 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.87 -39.99 75.99 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 110.342 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.94 -35.64 80.79 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.332 0.587 . . . . 0.0 109.701 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.91 -29.94 70.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.744 -0.597 . . . . 0.0 110.433 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.06 -43.2 77.7 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.304 -0.873 . . . . 0.0 108.925 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -50.04 -27.88 6.21 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.777 -0.577 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 1.1 tp -78.32 10.18 3.26 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.337 -0.852 . . . . 0.0 112.265 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 3.1 mtpp 79.24 5.34 2.2 Favored 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 123.339 0.655 . . . . 0.0 111.964 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 50' ' ' ILE . 87.1 mt -78.29 146.34 70.4 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 120.98 -1.075 . . . . 0.0 109.503 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.83 163.8 10.46 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 O-C-N 123.59 1.311 . . . . 0.0 109.242 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.76 -25.77 66.75 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.138 -0.976 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.07 -36.66 77.84 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.119 0.961 . . . . 0.0 110.289 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -97.35 -16.9 20.05 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.265 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.97 -40.01 75.65 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.031 -1.043 . . . . 0.0 110.911 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -76.45 -39.94 51.91 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.49 -0.756 . . . . 0.0 111.676 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.61 75.71 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.413 -0.804 . . . . 0.0 111.52 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.57 -44.18 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 31.1 t90 -60.04 -40.05 88.06 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.488 -0.757 . . . . 0.0 110.259 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 0.0 110.241 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -29.02 67.65 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.22 -39.66 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.544 -0.974 . . . . 0.0 110.776 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.03 -47.73 84.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.157 -0.965 . . . . 0.0 110.12 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.94 -39.3 81.22 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.371 -0.831 . . . . 0.0 110.482 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -60.02 -40.03 87.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.764 -0.585 . . . . 0.0 110.426 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.42 -40.03 92.86 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.44 -0.788 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.191 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.28 -28.49 62.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.146 -0.971 . . . . 0.0 111.071 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.18 -43.87 95.51 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 110.788 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -86.85 120.53 28.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.545 -0.722 . . . . 0.0 110.06 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.564 -0.71 . . . . 0.0 110.322 -179.607 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 N-CA-C 110.55 -0.596 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -140.47 152.35 45.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.419 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -105.49 136.37 45.17 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.556 -0.715 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.81 26.93 9.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.664 -0.648 . . . . 0.0 110.742 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -56.38 179.71 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.445 -0.784 . . . . 0.0 111.222 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.09 -39.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.733 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.37 -55.41 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 O-C-N 121.343 -0.848 . . . . 0.0 111.459 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.342 -0.849 . . . . 0.0 111.087 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -60.06 -44.59 94.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.474 -0.766 . . . . 0.0 111.801 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.92 -39.97 91.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.212 -0.93 . . . . 0.0 110.799 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.4 96.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.535 -0.728 . . . . 0.0 109.451 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -29.37 69.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.872 -0.518 . . . . 0.0 110.217 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.4 tp -97.77 13.8 29.17 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.277 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.94 27.52 73.64 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.5 m -114.41 151.98 32.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.502 -0.999 . . . . 0.0 109.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -173.14 -36.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -60.07 -25.75 65.62 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.47 7.61 35.18 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.212 -0.93 . . . . 0.0 111.248 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.39 -39.96 85.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.293 -0.879 . . . . 0.0 110.257 -178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -52.71 -37.22 58.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.394 -0.816 . . . . 0.0 112.355 -178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -63.7 -40.5 96.95 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.789 -1.195 . . . . 0.0 111.051 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -70.1 -41.57 73.85 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.387 -0.821 . . . . 0.0 111.801 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 28' ' ' THR . 8.2 t -66.06 -39.37 90.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 27' ' ' THR . 27.7 m -67.8 -17.41 64.51 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.552 -0.717 . . . . 0.0 111.442 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -98.72 -9.42 24.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.069 -1.019 . . . . 0.0 112.635 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 16.75 57.66 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.82 113.21 25.92 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.378 -1.072 . . . . 0.0 109.365 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -134.71 28.36 3.59 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.09 139.42 22.37 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.215 -0.928 . . . . 0.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.14 -30.1 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.621 -0.674 . . . . 0.0 109.357 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.05 -25.47 65.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.761 -0.587 . . . . 0.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -69.98 -30.0 67.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.584 -0.697 . . . . 0.0 110.064 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.3 pt -111.09 13.43 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 112.543 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.95 -38.3 82.04 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.867 -1.145 . . . . 0.0 110.755 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -98.7 -13.21 20.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.451 -0.781 . . . . 0.0 111.211 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.92 139.92 57.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.253 -0.905 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -101.55 -178.43 3.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.578 -0.701 . . . . 0.0 109.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.424 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 98.7 mtp -63.11 -39.91 96.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.529 -0.732 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -67.25 -39.99 86.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.102 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.09 -34.23 77.57 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.271 0.558 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.64 -22.96 64.38 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.572 -0.705 . . . . 0.0 111.3 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.89 84.58 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.11 -0.994 . . . . 0.0 109.844 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -50.52 -24.7 3.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.356 -0.84 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -75.67 8.04 3.29 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 112.13 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 55.7 mttm 70.12 8.91 6.87 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.43 -0.794 . . . . 0.0 112.493 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -78.54 137.45 59.19 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 109.101 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.35 171.44 16.12 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.639 1.336 . . . . 0.0 109.546 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.11 -28.83 69.11 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.023 -1.048 . . . . 0.0 110.975 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.18 -28.73 68.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.508 -0.745 . . . . 0.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.47 -12.08 18.09 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.65 -0.656 . . . . 0.0 111.148 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.6 mtm-85 -71.63 -45.92 60.64 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -79.06 -27.79 43.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.337 -0.852 . . . . 0.0 110.786 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.53 -44.79 61.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.413 -0.804 . . . . 0.0 110.987 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.3 mt -71.84 -43.72 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.428 -0.795 . . . . 0.0 110.448 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.424 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 16.5 t90 -59.98 -39.33 85.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.625 -0.672 . . . . 0.0 110.566 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -59.92 -40.03 87.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.616 -0.677 . . . . 0.0 111.29 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.11 59.92 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -68.91 -39.98 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.412 -1.052 . . . . 0.0 110.789 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -60.59 -44.93 95.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.42 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 81.3 m-20 -58.75 -38.01 77.48 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.183 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -50.32 -28.53 8.04 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.633 -0.667 . . . . 0.0 110.748 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.96 -40.82 75.19 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.502 -0.749 . . . . 0.0 111.395 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -65.07 -39.99 94.05 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.91 -20.34 60.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.091 -1.005 . . . . 0.0 111.055 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -83.95 109.96 18.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.375 -0.828 . . . . 0.0 109.91 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -68.04 139.31 56.28 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.48 -0.762 . . . . 0.0 110.654 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.768 -0.582 . . . . 0.0 110.534 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.489 1.245 0 N-CA-C 110.53 -0.604 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -60.51 -44.0 96.49 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.575 -0.703 . . . . 0.0 110.558 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -115.81 127.26 54.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.369 -0.832 . . . . 0.0 109.884 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.01 30.29 6.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.36 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.0 p -58.98 -171.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.501 -0.75 . . . . 0.0 110.946 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -70.02 -38.67 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.749 -0.595 . . . . 0.0 111.186 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 83.4 t -58.19 -50.89 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.401 -0.812 . . . . 0.0 110.851 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -60.01 -42.08 93.55 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.175 -0.953 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.93 -40.71 89.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.432 -0.792 . . . . 0.0 111.493 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.88 87.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.009 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.26 96.71 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.206 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -61.91 -26.04 67.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.609 -0.682 . . . . 0.0 110.56 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.2 tp -100.1 7.82 44.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.424 -0.797 . . . . 0.0 110.26 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.32 30.8 73.62 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.8 159.48 20.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.906 . . . . 0.0 110.66 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.03 -37.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.371 -0.83 . . . . 0.0 109.934 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -60.5 -23.62 64.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.561 -0.712 . . . . 0.0 111.334 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.26 0.71 57.1 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.256 -0.903 . . . . 0.0 111.221 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.7 tp -59.8 -40.76 89.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.27 -0.894 . . . . 0.0 111.058 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -54.86 -37.67 66.53 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.182 -0.949 . . . . 0.0 111.692 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -60.54 -41.16 93.9 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.196 -0.94 . . . . 0.0 110.86 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -69.85 -39.99 76.08 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.405 -0.809 . . . . 0.0 111.357 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -65.93 -40.03 91.04 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.47 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -67.85 -17.3 64.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.584 -0.697 . . . . 0.0 111.526 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -99.73 -8.57 24.11 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.182 -0.949 . . . . 0.0 112.451 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.6 14.09 55.92 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mp -99.01 111.81 24.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.279 -1.13 . . . . 0.0 108.813 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.0 p -129.04 26.82 5.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.75 -0.593 . . . . 0.0 110.915 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -155.66 140.2 16.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.313 -0.867 . . . . 0.0 110.712 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.04 -37.54 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -56.32 -21.23 22.94 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.634 -0.666 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.62 -38.51 80.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.468 -0.77 . . . . 0.0 110.415 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 pt -109.66 19.03 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 119.695 -0.802 . . . . 0.0 112.116 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -60.08 -36.02 76.46 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.052 -1.03 . . . . 0.0 111.02 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.88 -14.4 21.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.437 -0.789 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 9.8 m-85 -62.29 141.79 58.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.368 -0.832 . . . . 0.0 111.211 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -106.97 -175.91 2.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.669 -0.644 . . . . 0.0 109.427 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.437 ' HE1' ' CD2' ' A' ' 56' ' ' HIS . 64.8 mtt -60.04 -40.19 88.52 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.449 -0.782 . . . . 0.0 111.12 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -66.52 -39.98 88.92 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.212 -0.93 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 75.8 m-20 -64.34 -34.48 78.25 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.642 -0.661 . . . . 0.0 109.853 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp -69.68 -26.69 64.49 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.818 -0.551 . . . . 0.0 111.845 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -46.15 72.27 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.897 -1.127 . . . . 0.0 110.313 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 t -52.75 -23.43 6.77 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.3 -0.875 . . . . 0.0 110.585 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 5.4 tp -73.83 4.02 5.82 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.394 -0.816 . . . . 0.0 112.276 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 25.4 mmmt 77.54 4.29 3.07 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.666 -0.647 . . . . 0.0 111.911 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 66.0 mt -78.65 152.45 77.91 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.71 -1.244 . . . . 0.0 109.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.81 171.46 8.25 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 O-C-N 123.55 1.29 . . . . 0.0 109.611 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 88.5 tt0 -65.36 -30.26 71.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.14 -0.975 . . . . 0.0 110.577 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.11 -27.58 67.14 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.54 -0.725 . . . . 0.0 109.862 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.42 -15.26 18.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.597 -0.689 . . . . 0.0 110.701 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 54.7 mtm-85 -70.01 -45.45 67.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.087 -1.008 . . . . 0.0 110.15 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.437 ' CD2' ' HE1' ' A' ' 42' ' ' MET . 74.2 m80 -72.51 -40.04 67.16 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.434 -0.791 . . . . 0.0 111.668 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.44 85.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.473 -0.767 . . . . 0.0 111.758 -178.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.3 mt -73.51 -47.59 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.549 -0.719 . . . . 0.0 111.35 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.05 -37.82 80.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.48 -0.763 . . . . 0.0 111.302 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.82 -40.05 87.12 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.378 -0.826 . . . . 0.0 110.711 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.11 -32.11 69.29 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -40.07 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.429 -1.042 . . . . 0.0 111.114 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -43.33 96.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.334 -0.854 . . . . 0.0 110.26 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.88 -40.1 87.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.306 -0.872 . . . . 0.0 110.506 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.98 -43.81 94.89 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.523 -0.736 . . . . 0.0 110.132 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.17 -36.79 78.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.627 -0.671 . . . . 0.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -59.9 -38.79 83.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.456 -0.778 . . . . 0.0 110.893 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -41.43 73.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.492 -0.755 . . . . 0.0 110.676 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -126.22 129.59 49.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.26 -40.1 89.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.21 -0.931 . . . . 0.0 109.548 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.294 -1.847 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.021 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo . . . . . 0 N--CA 1.487 1.127 0 N-CA-C 110.095 -0.771 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.4 t -61.22 -39.39 90.08 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.617 -0.677 . . . . 0.0 110.933 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 52.36 48.52 22.46 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.196 -0.94 . . . . 0.0 110.439 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -88.15 62.67 6.87 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.621 -0.675 . . . . 0.0 110.588 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.6 p -56.81 175.9 0.11 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.426 -0.796 . . . . 0.0 111.307 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.56 -37.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.857 -0.527 . . . . 0.0 110.858 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -50.14 -51.67 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.289 -0.882 . . . . 0.0 111.176 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -60.79 -40.24 91.89 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.449 -0.782 . . . . 0.0 112.056 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.151 -0.968 . . . . 0.0 111.012 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.46 -40.05 95.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.491 -0.756 . . . . 0.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.92 98.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.585 -0.697 . . . . 0.0 109.576 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -59.98 -31.54 70.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.777 -0.577 . . . . 0.0 110.056 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.3 14.39 16.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.489 -0.757 . . . . 0.0 110.435 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.11 72.91 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.86 142.9 51.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.032 . . . . 0.0 110.732 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.34 26.74 0.24 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.4 p -111.23 -15.49 13.63 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.441 -0.787 . . . . 0.0 111.516 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.61 0.04 41.31 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.163 -0.961 . . . . 0.0 111.301 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.8 tp -60.02 -40.23 88.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.316 -0.865 . . . . 0.0 110.826 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.37 -36.55 63.98 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.38 -0.825 . . . . 0.0 111.904 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.92 -40.0 93.98 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.076 -1.015 . . . . 0.0 110.299 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 50' ' ' ILE . 87.4 m-85 -69.81 -40.01 76.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.422 -0.799 . . . . 0.0 110.626 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.8 p -64.35 -41.37 96.79 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.267 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 m -67.73 -15.14 63.49 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.669 -0.644 . . . . 0.0 111.113 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' CB ' ' CD1' ' A' ' 31' ' ' LEU . 44.5 mm-40 -100.42 -13.45 18.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.109 -0.994 . . . . 0.0 111.997 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 10.63 56.39 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' CD1' ' CB ' ' A' ' 29' ' ' GLN . 4.6 mp -101.14 114.96 29.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.354 -1.086 . . . . 0.0 109.738 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.9 p -129.91 32.54 4.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.633 -0.667 . . . . 0.0 111.154 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 p -155.86 147.81 23.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.19 -0.944 . . . . 0.0 110.702 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.57 -40.03 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.687 -0.633 . . . . 0.0 109.96 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 71.9 m-85 -52.95 -23.51 7.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.54 -0.725 . . . . 0.0 111.096 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -69.96 -36.27 75.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.745 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.5 pt -99.95 2.28 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.679 -0.638 . . . . 0.0 112.102 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 57.2 mt-10 -59.92 -37.11 78.53 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.881 -1.137 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -92.47 -24.69 18.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.327 -0.858 . . . . 0.0 110.341 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.01 138.63 57.81 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 110.299 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -172.57 2.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.086 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.82 -42.48 97.79 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.514 -0.741 . . . . 0.0 110.502 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -63.63 -39.92 95.59 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.469 -0.769 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -65.67 -37.97 88.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.865 -0.522 . . . . 0.0 111.409 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.91 -36.37 83.72 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.561 -0.712 . . . . 0.0 110.534 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.85 74.47 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.366 -0.834 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -50.05 -25.5 3.47 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.233 -0.917 . . . . 0.0 110.739 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 4.5 tp -75.48 10.35 1.72 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.411 -0.805 . . . . 0.0 112.169 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 74.7 mttt 79.97 -0.16 2.08 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 124.244 1.017 . . . . 0.0 111.914 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.42 HD12 ' CE2' ' A' ' 26' ' ' PHE . 70.7 mt -78.58 128.25 78.0 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.004 -1.06 . . . . 0.0 109.337 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.95 166.97 12.99 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 O-C-N 123.575 1.302 . . . . 0.0 110.087 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.01 -26.11 63.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.191 -0.943 . . . . 0.0 111.535 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.02 -35.62 75.47 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.291 -0.88 . . . . 0.0 110.352 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -95.38 -6.11 41.75 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.55 -0.719 . . . . 0.0 110.375 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -70.94 -39.92 72.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.019 -1.051 . . . . 0.0 110.357 178.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.81 -40.06 55.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.554 -0.716 . . . . 0.0 110.913 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.16 74.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.4 -0.812 . . . . 0.0 111.651 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.34 -46.08 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.455 -0.778 . . . . 0.0 111.244 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -59.96 -40.04 87.65 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.544 -0.722 . . . . 0.0 111.292 -179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.381 -0.824 . . . . 0.0 111.454 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.12 -26.8 59.14 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.8 mt -67.09 -35.9 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.56 -0.965 . . . . 0.0 110.351 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.94 -51.27 70.41 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.353 -0.842 . . . . 0.0 109.996 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -58.06 -38.09 75.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.584 -0.698 . . . . 0.0 110.383 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -60.09 -39.9 87.73 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.52 -0.737 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.04 -42.44 94.43 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.449 -0.782 . . . . 0.0 111.671 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.18 -36.35 83.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.318 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -39.95 71.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 0.0 110.484 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -106.96 116.7 32.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.737 -0.602 . . . . 0.0 109.919 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -99.99 122.48 42.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.623 -0.673 . . . . 0.0 109.8 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.63 -0.669 . . . . 0.0 110.301 -179.338 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 N--CA 1.486 1.075 0 N-CA-C 110.076 -0.778 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 m -82.91 138.4 33.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.457 -0.777 . . . . 0.0 109.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -126.77 135.34 50.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.59 -0.694 . . . . 0.0 110.186 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.51 27.32 5.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.613 -0.679 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -59.49 169.76 1.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.014 0.912 . . . . 0.0 111.748 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.75 -33.95 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.377 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.86 -52.32 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.109 -0.995 . . . . 0.0 110.636 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 m -60.02 -40.2 88.5 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.289 -0.882 . . . . 0.0 111.364 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -60.02 -40.1 88.15 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.468 -0.77 . . . . 0.0 110.812 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.65 -39.89 94.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.609 -0.682 . . . . 0.0 110.67 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.86 92.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.44 -0.787 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -60.08 -29.02 68.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.543 -0.723 . . . . 0.0 110.214 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 tp -96.52 13.06 29.31 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.596 -0.69 . . . . 0.0 110.112 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.0 27.68 73.05 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.4 m -116.85 152.46 34.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.445 -1.032 . . . . 0.0 110.091 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -173.01 -34.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.226 -0.921 . . . . 0.0 110.268 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -58.21 -26.41 62.8 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.369 -0.832 . . . . 0.0 111.51 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.5 m -90.05 2.69 54.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.173 -0.954 . . . . 0.0 111.224 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.87 -39.55 81.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.316 -0.865 . . . . 0.0 110.403 -178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.98 -37.54 45.4 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.256 -0.902 . . . . 0.0 112.472 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -64.33 -42.48 96.27 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.97 -1.081 . . . . 0.0 111.272 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -67.45 -40.0 85.36 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 110.526 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 p -63.7 -41.78 98.07 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -68.68 -14.11 62.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.601 . . . . 0.0 111.328 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -98.95 -13.29 20.02 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.103 -0.998 . . . . 0.0 111.89 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.27 19.98 47.51 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.35 112.82 24.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -1.024 . . . . 0.0 109.408 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 p -125.94 27.17 6.42 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.426 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.42 141.75 16.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.039 -1.038 . . . . 0.0 110.808 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.38 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -51.85 -22.35 3.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.579 -0.701 . . . . 0.0 110.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.83 -38.21 79.67 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.201 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 43.6 pt -114.63 19.09 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.59 -0.694 . . . . 0.0 112.34 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.97 -30.37 69.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.927 -1.108 . . . . 0.0 110.555 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.65 -6.41 21.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.514 -0.741 . . . . 0.0 111.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 3.0 m-85 -58.74 144.37 43.94 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.116 -0.99 . . . . 0.0 110.712 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -104.49 176.02 5.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 110.192 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' HE3' ' CE3' ' A' ' 59' ' ' TRP . 64.0 mtt -60.65 -42.66 97.43 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.502 -0.749 . . . . 0.0 111.184 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -69.96 -39.44 76.0 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.52 -0.737 . . . . 0.0 110.968 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.66 -39.18 90.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.799 -0.563 . . . . 0.0 110.919 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.44 -17.39 54.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.589 -0.694 . . . . 0.0 111.401 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.23 72.33 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.192 -0.942 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -50.26 -28.43 7.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.326 -0.859 . . . . 0.0 110.985 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 3.2 tp -73.59 1.78 9.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.413 -0.804 . . . . 0.0 111.951 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 31.3 mtmt 79.02 4.62 2.34 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 123.452 0.701 . . . . 0.0 112.465 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.5 143.39 68.19 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.051 -1.03 . . . . 0.0 110.098 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.54 165.78 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.755 1.397 . . . . 0.0 109.028 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -68.92 -20.44 64.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.139 -0.976 . . . . 0.0 110.157 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.37 -36.32 79.89 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 122.207 1.004 . . . . 0.0 110.111 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.52 -4.29 27.01 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.869 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -71.31 -41.74 69.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.949 -1.094 . . . . 0.0 110.337 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 57' ' ' ALA . 9.5 p-80 -83.37 -28.92 28.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.857 . . . . 0.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' N ' ' CD2' ' A' ' 56' ' ' HIS . . . -67.51 -47.91 68.6 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -75.59 -41.03 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.466 -0.771 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CE3' ' HE3' ' A' ' 42' ' ' MET . 90.4 t90 -59.89 -34.83 73.7 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.709 -0.619 . . . . 0.0 111.06 -178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.76 -40.03 86.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.423 -0.798 . . . . 0.0 110.606 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.0 -30.8 69.75 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.6 mm -60.6 -45.62 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.581 -0.952 . . . . 0.0 110.918 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.48 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.413 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 71.6 m-20 -56.63 -38.02 71.53 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.359 -0.838 . . . . 0.0 111.286 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.94 -40.06 87.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.345 -0.847 . . . . 0.0 110.541 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.0 -44.79 94.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.414 -0.804 . . . . 0.0 110.784 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -59.95 -37.32 79.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.555 -0.716 . . . . 0.0 111.087 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -29.88 67.04 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.536 -0.728 . . . . 0.0 111.205 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.85 118.63 19.64 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.551 -0.859 . . . . 0.0 110.656 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -69.88 140.16 53.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.679 -0.638 . . . . 0.0 109.673 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.146 -179.657 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 N--CA 1.488 1.152 0 N-CA-C 110.33 -0.681 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -134.38 160.03 39.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.659 -0.651 . . . . 0.0 109.987 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -119.98 136.54 54.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 110.223 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.12 39.0 3.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.688 -0.632 . . . . 0.0 109.7 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p -55.75 175.48 0.08 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.796 0.808 . . . . 0.0 111.645 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.64 -38.29 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.968 -0.458 . . . . 0.0 111.362 -178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.0 t -50.83 -50.46 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.107 -0.996 . . . . 0.0 111.134 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.244 -0.91 . . . . 0.0 111.378 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.98 -50.03 75.34 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.334 -0.854 . . . . 0.0 111.241 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.63 -39.96 90.17 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.526 -0.734 . . . . 0.0 110.491 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.54 85.41 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.535 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.01 -27.67 67.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.68 . . . . 0.0 110.538 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.5 tp -95.66 12.87 28.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.406 -0.809 . . . . 0.0 109.994 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.12 29.03 73.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.7 m -123.35 148.29 46.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.483 -1.01 . . . . 0.0 110.505 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.03 31.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.533 -0.73 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -116.73 -19.65 9.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.39 -0.819 . . . . 0.0 111.164 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -96.7 1.31 50.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.92 -40.22 88.14 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.253 -0.904 . . . . 0.0 111.062 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -54.56 -36.24 64.12 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.359 -0.838 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -63.83 -42.11 97.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.142 -0.974 . . . . 0.0 111.199 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CD1' HD23 ' A' ' 48' ' ' LEU . 96.2 m-85 -65.74 -42.76 90.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.242 -0.911 . . . . 0.0 109.956 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 p -64.64 -39.96 94.61 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.471 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -66.78 -18.85 65.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.652 -0.655 . . . . 0.0 111.221 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -100.99 -8.27 22.54 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 112.329 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.67 0.37 56.55 Favored Glycine 0 N--CA 1.501 3.009 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.825 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.25 111.47 23.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.316 -1.108 . . . . 0.0 109.433 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.6 p -131.38 21.27 4.77 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.538 -0.726 . . . . 0.0 112.481 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.2 p -139.95 150.66 44.78 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.723 -1.235 . . . . 0.0 110.595 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.6 -25.08 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.423 -0.798 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -69.92 -39.29 76.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 112.163 -178.174 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -67.75 -23.74 65.27 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.049 -1.032 . . . . 0.0 110.688 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.2 pt -88.08 11.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -59.94 -37.37 79.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.266 -0.896 . . . . 0.0 112.031 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.503 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.2 p80 -104.5 -12.61 16.4 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.142 -0.974 . . . . 0.0 111.78 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 16.7 m-85 -59.98 140.47 56.72 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -0.967 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 m -107.34 175.87 5.35 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.8 mtp -60.17 -43.85 95.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.554 -0.716 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.53 -0.731 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -66.18 -33.01 74.8 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.489 0.661 . . . . 0.0 109.799 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.9 tp -66.81 -30.84 71.13 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.803 -0.561 . . . . 0.0 111.616 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.27 72.05 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.126 -0.984 . . . . 0.0 110.311 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -50.24 -25.65 3.9 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.398 -0.814 . . . . 0.0 110.551 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -74.09 4.51 5.43 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.571 -0.706 . . . . 0.0 111.898 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 39.2 mtmt 74.96 9.7 3.94 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.822 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -78.61 141.56 60.59 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 120.991 -1.068 . . . . 0.0 109.775 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.14 170.18 18.82 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.738 1.388 . . . . 0.0 109.2 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.95 -28.67 65.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.058 -1.026 . . . . 0.0 110.216 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.96 -27.28 66.69 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.722 -0.611 . . . . 0.0 110.244 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -102.5 -9.56 20.1 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.517 -0.739 . . . . 0.0 111.075 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.8 mtm105 -70.03 -46.76 64.38 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.977 -1.077 . . . . 0.0 110.712 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.5 p80 -81.53 -26.64 34.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.408 -0.807 . . . . 0.0 110.806 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -44.01 70.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.458 -0.776 . . . . 0.0 109.878 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 HG23 HD13 ' A' ' 58' ' ' ILE . 91.8 mt -73.43 -42.03 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.493 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -60.01 -38.0 81.37 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.573 -0.704 . . . . 0.0 110.768 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.02 -40.12 88.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.538 -0.726 . . . . 0.0 110.851 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.69 69.59 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.8 mt -67.08 -40.06 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.46 -1.024 . . . . 0.0 110.997 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.0 -48.12 83.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.336 -0.852 . . . . 0.0 110.766 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.92 -39.56 85.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.477 -0.764 . . . . 0.0 110.675 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.55 -0.719 . . . . 0.0 110.401 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.56 -40.01 80.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.338 -0.851 . . . . 0.0 110.757 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.92 -40.36 96.28 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.307 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 pp -74.7 -32.68 62.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -101.8 116.73 33.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.571 -0.705 . . . . 0.0 110.146 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -119.32 136.15 54.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.504 -0.748 . . . . 0.0 109.946 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.583 -0.698 . . . . 0.0 110.154 179.887 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 N--CA 1.487 1.141 0 N-CA-C 110.602 -0.576 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.69 -40.06 90.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.1 117.39 34.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.534 -0.729 . . . . 0.0 109.556 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.5 m -109.97 22.58 15.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.506 -0.747 . . . . 0.0 111.444 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -61.78 -165.15 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.199 -0.938 . . . . 0.0 110.588 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HD11 ' CD1' ' A' ' 26' ' ' PHE . 92.8 mt -69.94 -38.47 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.609 -0.682 . . . . 0.0 111.748 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.43 -56.87 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.074 -1.016 . . . . 0.0 111.217 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -60.02 -40.05 87.93 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.213 -0.929 . . . . 0.0 111.32 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.95 -43.36 95.07 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.474 -0.766 . . . . 0.0 111.428 -178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.93 -39.99 87.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.356 -0.84 . . . . 0.0 110.64 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.2 90.2 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.562 -0.711 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -60.42 -27.93 67.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.812 -0.555 . . . . 0.0 110.568 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.0 tp -99.67 13.97 31.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.479 -0.763 . . . . 0.0 110.709 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.38 29.46 73.1 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.84 148.13 42.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.607 -0.937 . . . . 0.0 109.688 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 p -171.18 -35.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.411 -0.805 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.7 p -60.26 -21.66 62.14 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.475 -0.765 . . . . 0.0 110.967 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.76 0.0 57.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.249 -0.907 . . . . 0.0 110.848 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.02 -40.58 89.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.369 -0.832 . . . . 0.0 110.952 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.37 -37.39 67.46 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.34 -0.85 . . . . 0.0 112.104 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.54 -41.59 97.57 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.03 -1.044 . . . . 0.0 110.213 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CD1' HD11 ' A' ' 10' ' ' ILE . 59.6 m-85 -65.18 -39.91 93.56 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.388 -0.82 . . . . 0.0 110.303 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -68.95 -39.94 79.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.679 -0.638 . . . . 0.0 110.281 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.7 m -65.38 -20.49 66.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 111.301 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -99.55 -4.7 30.57 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.192 -0.943 . . . . 0.0 112.638 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.43 73.63 Favored Glycine 0 N--CA 1.499 2.856 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.268 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.62 119.34 38.62 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -1.09 . . . . 0.0 109.433 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 p -125.37 -26.79 3.55 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.95 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.17 159.86 16.01 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.809 -1.182 . . . . 0.0 111.823 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.2 mt -69.87 -31.59 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.843 -0.536 . . . . 0.0 110.402 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.41 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 37.4 m-85 -58.27 -26.79 63.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.428 -0.795 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -70.04 -34.28 73.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 109.249 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.6 pt -100.03 9.97 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.723 -0.61 . . . . 0.0 112.079 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.97 -35.44 74.98 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.957 -1.09 . . . . 0.0 110.48 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -94.45 -21.56 18.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.431 -0.793 . . . . 0.0 110.421 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -60.83 134.08 56.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.06 -171.24 2.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.5 mtp -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.401 0.619 . . . . 0.0 109.739 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.1 -39.92 86.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.666 -0.646 . . . . 0.0 110.516 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -64.34 -34.8 78.99 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.815 -0.553 . . . . 0.0 110.719 -179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -69.8 -26.46 64.27 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.576 -0.702 . . . . 0.0 110.997 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.18 84.48 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.236 -0.915 . . . . 0.0 110.013 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -54.35 -22.55 12.5 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.375 -0.828 . . . . 0.0 110.475 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -72.3 2.96 5.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.484 -0.76 . . . . 0.0 111.912 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 59.3 mttm 75.2 6.96 4.17 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 121.508 -0.745 . . . . 0.0 112.003 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -78.45 144.75 66.45 Favored Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 0.0 109.169 177.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.43 172.29 13.57 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 O-C-N 123.737 1.388 . . . . 0.0 109.241 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 85.7 tt0 -70.01 -31.95 69.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.035 -1.04 . . . . 0.0 110.792 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -59.88 -22.83 62.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.588 -0.695 . . . . 0.0 110.22 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.52 -10.27 19.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 110.893 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 13.9 mtm180 -71.12 -45.41 63.67 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.935 -1.103 . . . . 0.0 110.492 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.8 -28.91 40.18 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.534 -0.729 . . . . 0.0 110.851 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.57 71.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.557 -0.714 . . . . 0.0 110.372 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.55 -44.03 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.62 -0.675 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -60.04 -39.67 86.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.656 -0.653 . . . . 0.0 110.739 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.686 -0.634 . . . . 0.0 111.111 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.39 -29.81 74.58 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 97.6 mt -63.26 -37.77 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.549 -0.971 . . . . 0.0 110.415 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.99 -46.87 88.06 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.356 -0.84 . . . . 0.0 110.082 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.562 -0.712 . . . . 0.0 110.423 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -60.0 -41.79 92.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.371 -0.831 . . . . 0.0 110.113 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.83 -38.4 90.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.776 -0.578 . . . . 0.0 110.787 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -35.76 75.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.495 -0.753 . . . . 0.0 111.288 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -39.52 76.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.503 -0.748 . . . . 0.0 110.704 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -109.48 111.06 22.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.518 -0.739 . . . . 0.0 110.493 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.54 130.3 52.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.657 -0.652 . . . . 0.0 109.824 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.519 -0.738 . . . . 0.0 110.038 -179.638 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo . . . . . 0 N--CA 1.487 1.109 0 N-CA-C 110.221 -0.723 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 m -101.11 134.3 44.34 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.499 -0.751 . . . . 0.0 109.918 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -129.26 174.37 9.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.611 -0.68 . . . . 0.0 110.301 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 t 55.12 56.2 6.78 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.577 -0.702 . . . . 0.0 111.1 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -163.38 158.12 20.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 108.955 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 99.0 mt -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.286 -0.884 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.2 t -56.38 -45.79 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.487 -0.758 . . . . 0.0 110.484 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -60.21 -43.66 95.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.443 -0.785 . . . . 0.0 111.549 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.471 -0.768 . . . . 0.0 111.331 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.83 -40.1 94.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.539 -0.726 . . . . 0.0 110.671 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.8 93.93 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.374 -0.829 . . . . 0.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -60.63 -27.78 68.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.653 -0.655 . . . . 0.0 110.244 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 tp -96.07 11.13 35.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.444 -0.785 . . . . 0.0 109.998 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.95 30.1 72.36 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -125.12 146.31 49.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.598 -0.942 . . . . 0.0 111.097 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.15 28.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.233 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -111.15 -18.82 12.9 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.476 -0.765 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.01 4.27 54.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.303 -0.873 . . . . 0.0 111.242 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 tp -58.98 -41.08 86.71 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.993 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -55.28 -37.59 67.49 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.157 -0.964 . . . . 0.0 112.829 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -65.12 -40.59 94.68 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.014 -1.054 . . . . 0.0 111.499 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CZ ' HD12 ' A' ' 50' ' ' ILE . 83.5 m-85 -69.97 -40.06 75.62 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.326 -0.859 . . . . 0.0 110.465 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -64.82 -45.34 86.6 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.572 -0.705 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.08 -14.14 61.23 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.494 -0.754 . . . . 0.0 111.414 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -101.11 -10.24 20.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.042 -1.036 . . . . 0.0 112.344 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.37 3.64 56.45 Favored Glycine 0 N--CA 1.499 2.873 0 C-N-CA 119.964 -1.112 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mp -100.35 114.25 27.61 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.223 -1.163 . . . . 0.0 109.317 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -114.94 -20.35 10.57 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 119.602 -0.839 . . . . 0.0 112.151 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.52 159.74 17.82 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.994 -1.066 . . . . 0.0 112.138 -178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.1 -30.96 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.224 0.535 . . . . 0.0 110.146 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 30.8 m-85 -58.12 -25.07 60.93 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.717 -0.614 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -69.98 -30.64 68.03 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.6 pt -103.01 5.41 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.638 -0.664 . . . . 0.0 112.233 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 41.7 mm-40 -60.34 -34.46 73.88 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.904 -1.123 . . . . 0.0 111.182 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -91.81 -24.89 19.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.385 -0.822 . . . . 0.0 111.091 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -59.8 136.25 57.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.584 -0.698 . . . . 0.0 110.777 -178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 m -98.25 -174.34 2.82 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.2 mtp -62.72 -39.96 95.69 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.364 -0.835 . . . . 0.0 110.86 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -68.8 -40.04 79.79 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -62.72 -36.96 84.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.913 -0.492 . . . . 0.0 110.63 -179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.44 -35.01 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.527 -0.733 . . . . 0.0 110.756 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.56 -47.04 70.43 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.9 p -50.36 -27.34 6.12 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.459 -0.776 . . . . 0.0 110.845 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -76.86 14.69 0.79 Allowed 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.298 -0.876 . . . . 0.0 112.648 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 94.1 mttt 78.84 0.02 2.44 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 124.081 0.952 . . . . 0.0 112.183 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.401 HD12 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 mt -78.4 140.77 60.64 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.122 . . . . 0.0 109.242 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.65 173.32 14.1 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.659 1.347 . . . . 0.0 109.101 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.03 -22.43 63.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.041 -1.037 . . . . 0.0 110.398 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.424 -0.797 . . . . 0.0 110.105 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -99.63 0.04 41.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 110.396 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -74.99 -40.48 60.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.87 -1.144 . . . . 0.0 110.163 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -82.76 -31.86 28.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.493 -0.754 . . . . 0.0 110.305 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -45.55 67.96 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.12 -47.41 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.753 -0.592 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -59.97 -38.21 81.86 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.494 -0.754 . . . . 0.0 111.512 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.11 -40.09 88.46 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.38 -0.825 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.76 69.85 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.8 mt -67.28 -39.21 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.528 -0.984 . . . . 0.0 110.672 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.87 -48.94 79.67 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.39 -0.819 . . . . 0.0 110.574 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -60.41 -40.82 92.34 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.336 -0.852 . . . . 0.0 110.495 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -62.45 -34.76 77.44 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 110.651 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -59.88 -36.18 76.39 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.685 -0.634 . . . . 0.0 111.337 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -28.43 67.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.264 -0.897 . . . . 0.0 110.367 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -91.12 138.61 31.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.418 -0.801 . . . . 0.0 110.223 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.57 146.85 44.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.661 -0.649 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.499 -0.75 . . . . 0.0 109.721 179.374 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.489 1.217 0 N-CA-C 110.515 -0.61 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -120.01 130.04 54.55 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.679 -0.638 . . . . 0.0 110.064 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -89.26 125.85 35.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.584 -0.698 . . . . 0.0 110.188 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.58 26.44 6.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.675 -0.641 . . . . 0.0 109.886 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -58.17 171.47 0.55 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.492 -0.755 . . . . 0.0 110.965 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.0 mt -66.95 -36.79 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.88 -0.513 . . . . 0.0 111.383 -178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.1 t -50.06 -54.95 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.124 -0.985 . . . . 0.0 111.749 -178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -60.04 -40.03 87.95 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 111.611 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.97 -48.55 81.24 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.289 -0.882 . . . . 0.0 111.489 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.16 -39.88 87.96 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.339 -0.851 . . . . 0.0 110.45 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.76 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.546 -0.721 . . . . 0.0 109.791 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -60.07 -30.47 69.25 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.732 -0.605 . . . . 0.0 110.038 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.8 15.17 17.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.607 -0.683 . . . . 0.0 109.906 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.5 27.92 72.45 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.17 144.9 50.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -1.025 . . . . 0.0 110.656 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.73 32.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.6 -0.688 . . . . 0.0 109.48 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -109.82 -25.22 10.45 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.602 -0.687 . . . . 0.0 110.919 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -95.5 1.55 54.01 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.455 -0.778 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.94 -40.33 88.57 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.314 -0.866 . . . . 0.0 110.64 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -51.43 -34.52 35.33 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.835 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -68.05 -39.96 82.91 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.174 -0.954 . . . . 0.0 111.084 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.406 ' CE2' HD13 ' A' ' 50' ' ' ILE . 78.1 m-85 -66.45 -44.43 82.85 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.217 -0.927 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -68.71 -39.99 80.21 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.719 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.4 m -66.16 -19.66 65.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.581 -0.7 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -99.85 -5.12 29.02 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.223 -0.923 . . . . 0.0 111.98 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.63 -4.95 64.17 Favored Glycine 0 N--CA 1.5 2.917 0 O-C-N 120.982 -1.074 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mp -91.52 111.31 22.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -1.158 . . . . 0.0 109.468 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p -132.3 29.43 4.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.663 -0.648 . . . . 0.0 111.013 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 p -148.5 151.46 35.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.203 -0.936 . . . . 0.0 110.408 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.486 -0.758 . . . . 0.0 109.782 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -53.34 -25.39 14.98 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.552 -0.718 . . . . 0.0 110.712 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.03 -33.82 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.611 -0.681 . . . . 0.0 109.883 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 pt -102.08 5.89 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.495 -0.753 . . . . 0.0 112.417 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.01 -37.77 80.7 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.882 -1.136 . . . . 0.0 111.345 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -95.58 -21.15 18.43 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.277 -0.889 . . . . 0.0 111.26 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -61.64 140.02 58.21 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.391 -0.818 . . . . 0.0 110.464 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -99.86 -175.68 3.03 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 109.619 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.7 mtp -61.58 -41.37 97.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.654 -0.654 . . . . 0.0 110.738 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.14 -40.0 82.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.345 -0.847 . . . . 0.0 110.701 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.67 -37.49 84.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.743 -0.598 . . . . 0.0 110.804 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.47 -23.28 66.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.551 -0.718 . . . . 0.0 111.002 -179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.26 83.91 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.113 -0.992 . . . . 0.0 110.346 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.0 p -51.52 -23.08 3.68 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.373 -0.829 . . . . 0.0 111.023 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 15.1 tp -74.88 8.88 2.17 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.199 -0.938 . . . . 0.0 112.301 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mtpt 78.32 -0.16 2.59 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 123.624 0.77 . . . . 0.0 112.14 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.406 HD13 ' CE2' ' A' ' 26' ' ' PHE . 86.4 mt -76.94 134.35 68.43 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.022 -1.049 . . . . 0.0 109.571 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.43 169.65 16.64 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 O-C-N 123.61 1.321 . . . . 0.0 109.555 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 86.4 tt0 -67.08 -21.89 65.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.262 -0.899 . . . . 0.0 111.164 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.99 -35.5 75.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.408 -0.808 . . . . 0.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -101.0 -2.58 31.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.405 -0.809 . . . . 0.0 111.287 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' A' ' 52' ' ' GLU . 21.3 mtm180 -70.0 -43.67 70.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.928 -1.107 . . . . 0.0 109.536 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.85 -23.26 36.5 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.07 -47.36 62.26 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.365 -0.834 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.34 -39.93 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.772 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -60.69 -40.05 90.77 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 111.219 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.467 -0.771 . . . . 0.0 110.377 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.28 69.61 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.43 -40.17 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.167 -1.196 . . . . 0.0 111.456 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.05 -51.32 70.15 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.958 -1.089 . . . . 0.0 110.802 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -60.02 -39.17 84.93 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.509 -0.745 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.716 -0.615 . . . . 0.0 110.382 -179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -69.88 -37.21 75.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.464 -0.773 . . . . 0.0 112.039 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.68 -39.64 85.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.601 -0.687 . . . . 0.0 111.87 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.01 -26.95 64.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.108 -0.995 . . . . 0.0 110.511 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -131.67 109.39 10.16 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.415 -0.803 . . . . 0.0 109.78 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -70.34 139.5 52.02 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 109.953 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 t80 . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.663 -0.648 . . . . 0.0 110.064 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 N-CA-C 110.48 -0.623 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -70.0 -19.75 63.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.584 -0.697 . . . . 0.0 110.634 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -112.35 121.14 44.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.323 -0.861 . . . . 0.0 110.402 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.76 49.89 0.53 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 p -59.39 170.13 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.849 0.833 . . . . 0.0 111.725 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 HG22 HD11 ' A' ' 10' ' ' ILE . 93.1 mt -68.84 -35.88 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.201 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.1 t -50.08 -56.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 121.198 -0.939 . . . . 0.0 111.575 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.423 -0.798 . . . . 0.0 111.679 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.94 -48.72 80.55 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.358 -0.839 . . . . 0.0 111.678 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.96 -37.54 79.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.85 91.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.391 -0.818 . . . . 0.0 109.714 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.5 -23.74 64.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.579 -0.701 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 tp -102.59 14.65 31.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.77 28.94 74.1 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -119.23 147.07 44.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.565 -0.962 . . . . 0.0 109.704 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 -36.8 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.366 -0.833 . . . . 0.0 110.087 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.0 m -52.32 -23.96 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.576 -0.703 . . . . 0.0 111.783 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.29 0.07 56.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.152 -0.967 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.1 tp -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.232 -0.917 . . . . 0.0 110.338 -179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.05 -34.61 30.54 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.447 -0.783 . . . . 0.0 111.84 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -68.19 -39.9 82.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.123 -0.986 . . . . 0.0 111.066 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -66.2 -41.27 90.4 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.188 -0.945 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -65.04 -40.02 94.2 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -66.36 -18.3 65.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.757 -0.589 . . . . 0.0 111.263 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.15 -11.64 19.41 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.114 -0.991 . . . . 0.0 112.068 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.01 10.72 59.53 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.29 118.22 36.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.4 p -125.5 -25.57 3.71 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.928 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.9 p -98.9 146.82 25.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.977 -1.077 . . . . 0.0 111.676 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.04 -39.96 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.767 -0.583 . . . . 0.0 109.711 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -51.43 -24.91 5.46 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.521 -0.737 . . . . 0.0 111.014 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -69.02 -38.97 79.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.437 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 39.5 pt -100.81 5.56 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.664 -0.648 . . . . 0.0 112.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 -32.74 71.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.957 -1.089 . . . . 0.0 110.474 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.9 -23.69 18.0 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.525 -0.735 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 22.7 m-85 -58.76 143.03 48.42 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 m -99.26 176.05 5.67 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.05 -42.9 95.44 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.17 -39.97 92.12 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.58 -32.77 74.32 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.778 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -67.04 -39.95 87.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.776 -0.578 . . . . 0.0 110.351 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.5 73.32 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -51.1 -24.3 3.89 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.274 -0.891 . . . . 0.0 110.823 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 2.5 tp -76.97 13.79 0.99 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.348 -0.845 . . . . 0.0 112.183 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 88.4 mttt 79.55 -0.91 2.2 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 124.201 1.0 . . . . 0.0 111.848 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.21 132.62 66.15 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.015 -1.053 . . . . 0.0 109.478 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.52 153.56 76.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 O-C-N 123.752 1.396 . . . . 0.0 109.538 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 20.5 pt-20 -66.34 -15.27 63.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.064 -1.022 . . . . 0.0 111.557 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -60.12 -37.22 79.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.147 -0.971 . . . . 0.0 109.712 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.95 3.15 44.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 110.52 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HD3' ' HA ' ' A' ' 52' ' ' GLU . 16.6 mtp180 -70.59 -48.11 56.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.981 -1.074 . . . . 0.0 110.068 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -81.68 -29.13 33.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 109.975 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.83 -47.41 78.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.767 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.85 -40.26 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.601 -0.687 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -60.0 -36.07 76.4 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.389 -0.819 . . . . 0.0 110.92 -178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.89 -40.13 87.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.453 -0.779 . . . . 0.0 110.877 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.2 76.55 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.45 -37.41 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.546 -0.973 . . . . 0.0 110.627 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -49.44 77.66 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.281 -0.887 . . . . 0.0 110.05 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -59.92 -37.66 80.13 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 110.114 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 80.3 t60 -60.04 -39.91 87.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.606 -0.684 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -71.57 -39.95 70.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.488 -0.758 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.675 -0.641 . . . . 0.0 112.084 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 65' ' ' HIS . 2.5 pp -70.7 -30.26 66.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.042 -1.036 . . . . 0.0 110.18 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -116.5 109.38 17.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.385 -0.822 . . . . 0.0 109.571 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -68.71 -39.98 80.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.565 -0.709 . . . . 0.0 111.005 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 . . . . . 0 N--CA 1.499 2.009 0 O-C-N 121.753 -0.592 . . . . 0.0 110.098 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo . . . . . 0 N--CA 1.486 1.035 0 N-CA-C 110.265 -0.706 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -66.99 -44.62 79.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.497 -0.752 . . . . 0.0 110.181 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 49.32 83.73 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 111.731 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 m -90.64 14.85 12.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -0.807 . . . . 0.0 110.623 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 80.6 p -61.0 170.04 1.73 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.118 -0.989 . . . . 0.0 111.809 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 HD12 HG21 ' A' ' 10' ' ' ILE . 86.6 mt -70.09 -21.68 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.755 -0.591 . . . . 0.0 110.654 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.33 -56.01 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.815 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 110.98 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -59.96 -48.24 82.52 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.409 -0.807 . . . . 0.0 110.686 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.92 -40.11 87.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.499 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.5 96.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.01 -30.82 69.4 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.896 -0.502 . . . . 0.0 110.025 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.3 tp -92.27 15.4 13.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.659 -0.651 . . . . 0.0 110.043 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.92 26.62 69.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.3 m -124.84 134.8 52.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.55 -0.97 . . . . 0.0 110.775 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -151.87 21.7 0.69 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.506 -0.746 . . . . 0.0 110.195 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -100.04 -19.43 16.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.337 -0.852 . . . . 0.0 111.103 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -97.09 1.84 50.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.308 -0.87 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.81 -41.09 85.97 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.265 -0.897 . . . . 0.0 110.384 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.19 -36.96 61.52 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.418 -0.801 . . . . 0.0 111.814 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -64.25 -43.17 95.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.069 -1.019 . . . . 0.0 111.484 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 50' ' ' ILE . 75.4 m-85 -69.83 -41.11 75.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.082 -1.011 . . . . 0.0 111.571 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 t -69.75 -39.96 76.42 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.015 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.3 m -65.85 -20.9 66.4 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.636 -0.665 . . . . 0.0 110.697 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -98.62 -7.29 28.29 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.217 -0.927 . . . . 0.0 112.048 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.28 -2.02 67.78 Favored Glycine 0 N--CA 1.5 2.905 0 C-N-CA 120.01 -1.09 . . . . 0.0 110.49 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -89.55 112.39 23.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.406 -1.055 . . . . 0.0 108.816 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.3 p -127.58 30.48 5.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.633 -0.667 . . . . 0.0 111.816 -178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -158.87 148.17 18.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 110.882 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.96 -38.71 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -52.31 -22.88 4.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.617 -0.677 . . . . 0.0 110.83 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.88 -34.63 73.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.492 -0.755 . . . . 0.0 109.226 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.96 16.73 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.66 -0.65 . . . . 0.0 112.276 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.97 -34.95 73.98 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -100.21 -14.63 18.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.447 -0.783 . . . . 0.0 110.828 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.2 144.22 50.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.278 -0.889 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -102.97 177.45 4.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 109.954 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.02 -40.95 91.07 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.505 -0.747 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -67.31 -40.0 85.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.498 -0.751 . . . . 0.0 110.419 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.5 -37.51 87.79 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.338 0.59 . . . . 0.0 110.704 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.5 tp -66.59 -26.51 67.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.593 -0.692 . . . . 0.0 111.003 -178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.92 70.6 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.271 -0.893 . . . . 0.0 110.165 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.2 p -52.33 -24.65 7.92 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.316 -0.865 . . . . 0.0 110.473 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 49' ' ' LYS . 6.0 tp -74.4 3.8 6.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.521 -0.737 . . . . 0.0 111.657 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 7.6 mtmt 80.01 5.61 1.84 Allowed 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 123.449 0.7 . . . . 0.0 111.769 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 67.4 mt -77.53 144.23 69.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.991 -1.068 . . . . 0.0 109.883 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -79.96 160.43 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 O-C-N 123.641 1.337 . . . . 0.0 109.227 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' CD2' ' A' ' 56' ' ' HIS . 86.4 tt0 -63.08 -28.65 70.23 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.099 -1.0 . . . . 0.0 110.272 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -59.95 -31.42 69.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.625 -0.672 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.63 -14.56 18.1 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.731 -0.606 . . . . 0.0 110.998 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -68.67 -44.1 74.77 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 17.7 p80 -81.04 -26.41 36.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.275 -0.89 . . . . 0.0 110.965 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.98 70.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.359 -0.838 . . . . 0.0 109.827 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.2 mt -72.19 -41.64 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.609 -0.682 . . . . 0.0 110.297 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.02 -38.73 83.56 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.555 -0.715 . . . . 0.0 111.061 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 0.0 110.7 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.45 -31.29 73.77 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.41 -38.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.937 . . . . 0.0 110.639 -179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.09 -48.62 80.97 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.308 -0.87 . . . . 0.0 110.451 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -59.95 -40.01 87.52 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.458 -0.776 . . . . 0.0 110.628 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.03 -44.57 94.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.498 -0.751 . . . . 0.0 110.47 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -62.16 -40.05 94.72 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.43 -39.98 89.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.816 -0.553 . . . . 0.0 112.023 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -30.73 68.04 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.212 -0.93 . . . . 0.0 110.747 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -60.13 -39.91 87.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.466 -0.771 . . . . 0.0 110.074 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -106.91 139.94 40.51 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.629 -0.67 . . . . 0.0 110.556 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.646 -0.659 . . . . 0.0 109.997 179.763 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo . . . . . 0 N--CA 1.486 1.069 0 N-CA-C 110.358 -0.67 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -105.58 133.31 50.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.608 -0.682 . . . . 0.0 110.083 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 52.76 45.37 28.84 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 111.016 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.8 t -72.97 68.13 0.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.559 -0.713 . . . . 0.0 109.319 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -61.91 -169.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.751 -0.593 . . . . 0.0 111.001 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.03 -23.28 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.619 -0.675 . . . . 0.0 110.994 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -63.95 -57.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.256 -0.903 . . . . 0.0 109.312 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 m -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.712 -0.618 . . . . 0.0 111.339 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -59.33 -48.79 80.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 111.238 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.34 -40.01 93.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 110.56 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.26 86.55 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.427 -0.796 . . . . 0.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -59.97 -29.47 68.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.712 -0.618 . . . . 0.0 110.326 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.8 tp -94.91 15.28 19.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.484 -0.76 . . . . 0.0 110.342 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.89 73.53 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.5 m -120.92 141.15 50.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.489 -1.007 . . . . 0.0 110.503 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.29 34.33 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.465 -0.772 . . . . 0.0 109.313 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.07 -25.79 7.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.534 -0.729 . . . . 0.0 110.884 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.3 m -95.92 6.58 48.53 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.372 -0.83 . . . . 0.0 111.481 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.43 -39.99 81.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.243 -0.911 . . . . 0.0 109.943 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.92 -39.53 74.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.51 -0.744 . . . . 0.0 112.404 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -62.08 -42.62 99.39 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.878 -1.139 . . . . 0.0 111.013 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.15 -40.0 93.78 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -67.99 -39.96 83.17 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.246 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -65.3 -20.08 66.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.688 . . . . 0.0 111.336 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -100.91 -7.99 22.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.113 -0.992 . . . . 0.0 112.25 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.45 57.49 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.985 -1.072 . . . . 0.0 110.844 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.18 112.02 23.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.257 -1.143 . . . . 0.0 109.755 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -129.66 25.98 5.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.521 -0.737 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -149.58 147.52 28.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.144 -0.972 . . . . 0.0 110.315 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.2 -27.78 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 110.257 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 27.8 m-85 -59.98 -28.6 67.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.54 -0.725 . . . . 0.0 110.318 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 9.1 mm100 -69.98 -31.28 68.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.553 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.4 pt -101.84 11.23 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.293 -0.879 . . . . 0.0 112.35 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 78.1 mt-10 -59.96 -38.73 83.32 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.908 -1.12 . . . . 0.0 112.125 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.8 p80 -101.77 -8.76 21.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.022 -1.049 . . . . 0.0 111.513 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 14.2 m-85 -60.7 137.96 58.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.218 -0.926 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -100.71 176.17 5.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.636 . . . . 0.0 109.549 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.17 -39.98 88.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.426 -0.796 . . . . 0.0 110.417 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -69.08 -39.97 78.74 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.519 -0.738 . . . . 0.0 110.656 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.91 -38.3 90.42 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.77 -0.581 . . . . 0.0 111.123 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.2 tp -65.08 -22.78 67.01 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.521 -0.737 . . . . 0.0 110.749 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.44 -47.26 76.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.232 -0.917 . . . . 0.0 110.067 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -51.48 -25.51 6.62 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.4 -0.812 . . . . 0.0 110.205 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -73.06 1.95 8.02 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.636 -0.665 . . . . 0.0 111.821 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 36.4 mtmt 79.56 5.93 2.0 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.501 0.72 . . . . 0.0 112.018 179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.2 mt -77.53 134.26 66.17 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.107 -0.995 . . . . 0.0 110.053 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.71 166.79 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 N-CA-C 108.621 -1.338 . . . . 0.0 108.621 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.21 -27.79 68.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.991 -1.068 . . . . 0.0 110.778 -179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -30.43 69.43 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.543 -0.723 . . . . 0.0 110.141 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.54 -17.54 17.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -65.78 -40.01 91.55 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.116 -0.99 . . . . 0.0 110.947 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 20.0 p80 -81.64 -30.66 32.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.259 -0.901 . . . . 0.0 111.513 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.201 -0.937 . . . . 0.0 110.381 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.36 -44.0 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.7 -0.625 . . . . 0.0 110.98 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -60.1 -40.49 89.83 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.355 -0.841 . . . . 0.0 112.33 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -59.95 -39.58 86.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 111.469 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.82 -29.13 72.63 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.41 -40.67 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.345 -1.091 . . . . 0.0 111.325 -178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -48.82 80.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.26 -0.9 . . . . 0.0 110.586 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.633 -0.667 . . . . 0.0 111.021 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.97 -41.4 91.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -60.03 -42.77 95.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.632 -0.668 . . . . 0.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -33.06 71.5 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.72 -0.612 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -34.86 74.06 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.698 -0.626 . . . . 0.0 110.425 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.19 121.32 44.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.444 -0.785 . . . . 0.0 110.413 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.94 130.1 55.45 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.513 -0.742 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 110.046 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.816 0.341 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.4 p -61.28 177.13 0.39 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.321 -0.862 . . . . 0.0 111.243 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.57 -34.32 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.91 -0.493 . . . . 0.0 111.12 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.2 t -51.42 -56.73 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 O-C-N 121.107 -0.996 . . . . 0.0 111.123 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -59.95 -39.37 85.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.423 -0.798 . . . . 0.0 110.938 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.92 -40.83 90.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.509 -0.745 . . . . 0.0 111.476 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.265 -0.897 . . . . 0.0 110.483 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.0 94.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.47 -0.769 . . . . 0.0 109.513 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.0 -32.18 70.62 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.216 0.532 . . . . 0.0 110.265 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.5 tp -92.73 13.97 18.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.555 -0.716 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.51 72.7 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -126.53 144.23 50.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.451 -1.029 . . . . 0.0 111.023 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -161.13 28.23 0.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.577 -0.702 . . . . 0.0 110.098 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -110.76 -19.72 12.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.457 -0.777 . . . . 0.0 111.53 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.2 m -95.07 -0.03 53.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.185 -0.947 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.99 -40.13 88.11 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.225 -0.922 . . . . 0.0 110.683 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -53.6 -38.52 64.05 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.217 -0.927 . . . . 0.0 112.302 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.823 -1.173 . . . . 0.0 110.094 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 50' ' ' ILE . 59.3 m-85 -65.13 -40.0 93.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.404 -0.81 . . . . 0.0 110.774 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -62.08 -48.51 79.89 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.69 -0.631 . . . . 0.0 111.037 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 29' ' ' GLN . 6.4 t -68.83 -9.7 52.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.322 -0.862 . . . . 0.0 111.74 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 28' ' ' THR . 25.5 mm-40 -98.33 -14.14 20.36 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.941 -1.099 . . . . 0.0 111.623 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.98 52.31 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' GLN . 1.3 mp -109.25 116.5 32.01 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.362 -1.081 . . . . 0.0 109.517 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -134.33 29.83 3.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.518 -0.739 . . . . 0.0 111.862 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.3 p -149.5 143.03 25.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.055 -1.028 . . . . 0.0 110.805 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.23 -31.07 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -60.01 -26.28 65.95 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.647 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.0 mm100 -69.96 -26.88 64.32 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.532 -0.73 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.443 HD12 HD11 ' A' ' 62' ' ' ILE . 44.8 pt -109.29 11.53 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.47 -0.768 . . . . 0.0 112.476 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.883 -1.136 . . . . 0.0 112.299 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -8.96 20.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.034 -1.041 . . . . 0.0 112.287 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -60.09 140.09 57.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.158 -0.964 . . . . 0.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 t -100.73 -176.61 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.645 -0.659 . . . . 0.0 109.52 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.5 mtp -64.36 -40.94 96.83 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.78 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.28 -39.92 78.09 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.129 -0.982 . . . . 0.0 111.248 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.83 -33.93 77.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.706 -0.621 . . . . 0.0 110.174 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 55' ' ' ARG . 8.2 tt -65.81 -24.22 66.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.602 -0.686 . . . . 0.0 110.768 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.74 86.7 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.283 -0.886 . . . . 0.0 110.406 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -50.61 -23.45 2.58 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.178 -0.951 . . . . 0.0 110.919 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 50' ' ' ILE . 5.5 tp -73.53 5.66 3.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.427 -0.796 . . . . 0.0 112.456 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 92.0 mttt 76.78 2.03 3.31 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 123.652 0.781 . . . . 0.0 112.095 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 48' ' ' LEU . 94.2 mt -77.28 137.61 64.45 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.952 -1.092 . . . . 0.0 109.651 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 44.4 Cg_endo -57.87 165.48 6.54 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 O-C-N 123.561 1.295 . . . . 0.0 110.323 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 99.2 mt-10 -70.0 -34.89 73.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.021 -1.049 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.01 -20.86 60.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.539 -0.725 . . . . 0.0 110.438 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 51' ' ' PRO . 11.6 m-85 -96.46 -6.91 36.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 110.769 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG2' HD22 ' A' ' 45' ' ' LEU . 63.7 mtm180 -69.97 -40.76 75.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.033 -1.042 . . . . 0.0 109.666 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -76.14 -34.2 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.73 -0.606 . . . . 0.0 110.487 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.91 51.71 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.555 -0.715 . . . . 0.0 111.243 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.78 -45.41 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.396 -0.815 . . . . 0.0 111.05 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.2 t90 -59.95 -39.45 85.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.538 -0.727 . . . . 0.0 111.465 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.0 -40.18 88.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.595 -0.69 . . . . 0.0 111.042 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.18 -30.91 73.97 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.1 mt -66.68 -40.02 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -1.0 . . . . 0.0 110.625 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.99 -48.86 79.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.52 -36.32 73.66 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.666 -0.646 . . . . 0.0 110.711 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.92 -40.67 89.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.39 -0.819 . . . . 0.0 110.053 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.5 -42.24 98.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.723 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.06 -37.81 80.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.504 -0.748 . . . . 0.0 111.481 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 111.739 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.044 0.45 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 82.9 p -58.77 159.35 6.89 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 122.001 0.905 . . . . 0.0 111.484 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.79 -25.74 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.6 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.752 HG22 HD11 ' A' ' 23' ' ' LEU . 94.4 t -60.06 -51.48 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.273 -0.892 . . . . 0.0 109.907 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -60.95 -40.01 91.68 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.348 -0.845 . . . . 0.0 110.874 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -60.1 -40.96 91.47 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.539 -0.726 . . . . 0.0 111.384 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 HD13 ' A' ' 23' ' ' LEU . 94.7 mt -62.8 -41.65 99.37 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.519 -0.738 . . . . 0.0 110.579 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.62 94.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.511 -0.743 . . . . 0.0 110.017 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.88 -29.48 70.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.68 -0.637 . . . . 0.0 109.58 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 57' ' ' ALA . 29.1 tp -97.38 10.56 39.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.709 -0.62 . . . . 0.0 110.213 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.05 25.68 74.31 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -115.47 158.46 22.52 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.496 -1.003 . . . . 0.0 109.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.369 -0.832 . . . . 0.0 110.718 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -64.79 -20.02 66.14 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.335 -0.853 . . . . 0.0 111.341 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.55 0.39 57.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.198 -0.938 . . . . 0.0 110.994 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD11 HG22 ' A' ' 11' ' ' VAL . 42.2 tp -58.37 -40.08 81.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.336 -0.852 . . . . 0.0 110.997 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.02 -35.92 48.46 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.298 -0.876 . . . . 0.0 111.823 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.24 -40.09 95.31 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.351 -0.843 . . . . 0.0 111.181 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -69.87 -40.05 75.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.339 -0.851 . . . . 0.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p -69.63 -41.54 75.5 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.788 -0.57 . . . . 0.0 111.092 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -67.54 -17.62 64.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.51 -0.744 . . . . 0.0 111.389 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -98.9 -6.82 28.22 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.12 -0.987 . . . . 0.0 112.375 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.68 6.82 63.6 Favored Glycine 0 N--CA 1.499 2.841 0 C-N-CA 120.032 -1.08 . . . . 0.0 110.555 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.98 115.17 29.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.43 -1.041 . . . . 0.0 109.658 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -132.09 23.3 4.52 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.83 -0.748 . . . . 0.0 112.409 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -145.34 153.13 40.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.577 -1.327 . . . . 0.0 110.808 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 tt -70.3 -33.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.606 -0.684 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -60.03 -39.95 87.69 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' THR . 7.3 pt20 -69.92 -19.2 63.4 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.78 -1.2 . . . . 0.0 110.903 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.8 pt -99.67 3.39 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.253 -0.904 . . . . 0.0 111.376 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.938 -1.101 . . . . 0.0 111.21 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.91 -20.88 17.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.777 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 20.6 m-85 -60.6 138.69 58.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -109.11 -168.15 1.3 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.4 -0.812 . . . . 0.0 109.794 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.8 -42.37 97.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.808 . . . . 0.0 110.801 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -62.87 -49.51 74.58 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.576 -0.703 . . . . 0.0 111.331 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.4 m-20 -61.59 -35.61 78.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.871 -0.518 . . . . 0.0 110.703 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 55' ' ' ARG . 28.4 tp -70.01 -27.52 64.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 110.101 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.61 88.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.363 -0.836 . . . . 0.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.5 p -54.62 -20.59 8.38 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.206 -0.934 . . . . 0.0 110.807 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 50' ' ' ILE . 3.1 tp -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.42 -0.8 . . . . 0.0 111.809 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 34.7 mtmt 78.41 7.02 2.42 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 121.583 -0.698 . . . . 0.0 111.482 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.841 HD11 HD23 ' A' ' 48' ' ' LEU . 79.3 mt -78.64 144.02 64.27 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.148 -0.97 . . . . 0.0 109.52 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 50' ' ' ILE . 42.2 Cg_endo -64.22 169.85 10.14 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 O-C-N 123.575 1.302 . . . . 0.0 109.942 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.05 -34.31 73.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.071 -1.018 . . . . 0.0 110.589 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.93 -20.09 55.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.896 -0.503 . . . . 0.0 110.697 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -102.71 -6.67 22.42 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.476 -0.765 . . . . 0.0 111.249 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.851 ' HA ' HD23 ' A' ' 45' ' ' LEU . 63.1 mtm180 -70.01 -40.0 75.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 109.84 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -84.76 -25.04 28.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.666 -0.646 . . . . 0.0 109.935 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.08 -47.43 71.27 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.35 -43.54 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.735 . . . . 0.0 110.522 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.81 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.2 t90 -59.05 -39.12 81.08 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.67 -0.644 . . . . 0.0 111.183 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.03 -41.88 93.17 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.599 -0.688 . . . . 0.0 111.338 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.69 -32.4 74.38 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 59' ' ' TRP . 91.5 mt -65.64 -41.57 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.582 -0.952 . . . . 0.0 110.814 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.247 -0.908 . . . . 0.0 110.682 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.357 -0.84 . . . . 0.0 110.954 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 -43.21 95.56 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.304 -0.872 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.486 -0.759 . . . . 0.0 110.47 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.04 -37.68 80.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.677 -0.639 . . . . 0.0 111.348 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 O-C-N 121.402 -0.811 . . . . 0.0 111.156 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.887 0.375 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 92.3 p -59.17 -164.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 111.28 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.37 -39.92 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.7 -0.625 . . . . 0.0 111.007 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.0 t -59.52 -47.8 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.32 -0.862 . . . . 0.0 110.956 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -59.86 -45.94 90.87 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.189 -0.945 . . . . 0.0 110.988 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.95 -41.44 91.89 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.767 -0.583 . . . . 0.0 111.41 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 23' ' ' LEU . 91.4 mt -62.87 -44.05 97.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 0.0 111.352 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.2 95.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.428 -0.795 . . . . 0.0 110.325 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -61.66 -29.88 70.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.605 -0.684 . . . . 0.0 110.428 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.77 14.1 31.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.628 -0.67 . . . . 0.0 111.323 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.63 72.79 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.47 156.54 20.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.485 -1.009 . . . . 0.0 109.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -177.38 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.41 -0.806 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -69.19 -22.92 63.87 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.615 -0.678 . . . . 0.0 111.247 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.3 m -89.91 0.69 56.92 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.28 -0.887 . . . . 0.0 110.813 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD13 HD12 ' A' ' 14' ' ' LEU . 35.2 tp -60.04 -39.92 87.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.258 -0.901 . . . . 0.0 110.371 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 28' ' ' THR . 58.5 m-20 -50.65 -36.44 35.51 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.286 -0.884 . . . . 0.0 111.585 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -64.36 -39.99 94.97 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.132 -0.98 . . . . 0.0 110.695 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.9 m-85 -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.396 -0.815 . . . . 0.0 111.119 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 6.8 t -69.86 -43.0 72.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.414 -0.804 . . . . 0.0 111.827 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -68.4 -15.3 63.51 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.073 -1.017 . . . . 0.0 111.514 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.8 mm-40 -95.61 -7.59 37.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 112.149 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.0 32.14 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.017 -1.052 . . . . 0.0 110.73 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.4 mp -112.17 116.53 30.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.418 -1.048 . . . . 0.0 110.206 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 33' ' ' THR . 74.3 p -132.57 25.91 4.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.746 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 32' ' ' THR . 14.0 p -152.9 142.54 21.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.008 . . . . 0.0 110.943 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.2 tt -63.95 -31.54 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.51 -0.744 . . . . 0.0 110.486 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.58 -23.38 62.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.576 -0.702 . . . . 0.0 110.526 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -69.9 -32.35 70.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.458 -0.777 . . . . 0.0 110.093 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' ILE . 46.8 pt -106.02 9.11 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.0 112.634 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.78 -40.03 91.04 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.73 -1.231 . . . . 0.0 111.789 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.17 -20.18 19.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.227 -0.921 . . . . 0.0 110.488 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.94 139.95 57.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.206 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -102.43 -172.22 2.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.599 -0.688 . . . . 0.0 109.853 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.4 mtp -62.74 -41.03 99.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.535 -0.728 . . . . 0.0 111.049 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.68 -40.02 84.44 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.263 -0.898 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.87 -36.55 83.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.813 -0.554 . . . . 0.0 110.372 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 55' ' ' ARG . 58.3 tp -69.05 -27.28 65.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.552 -0.717 . . . . 0.0 111.035 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' HB2' ' NH1' ' A' ' 55' ' ' ARG . . . -57.12 -48.08 79.53 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.055 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -52.3 -23.24 5.46 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.345 -0.847 . . . . 0.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -70.38 3.47 2.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.445 -0.785 . . . . 0.0 113.032 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 33.5 tttt 85.19 -4.87 0.9 Allowed 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 118.804 0.729 . . . . 0.0 112.055 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 51' ' ' PRO . 98.3 mt -77.33 143.75 69.57 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 120.935 -1.103 . . . . 0.0 109.912 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 50' ' ' ILE . 45.6 Cg_endo -65.54 169.42 12.78 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 O-C-N 123.818 1.43 . . . . 0.0 108.969 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.72 -24.81 62.71 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.034 -1.041 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.12 -26.45 68.83 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.51 -0.744 . . . . 0.0 111.876 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -100.26 -6.3 26.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.101 -1.0 . . . . 0.0 111.374 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.83 ' HA ' HD23 ' A' ' 45' ' ' LEU . 51.9 mtm180 -70.6 -39.93 73.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.89 -1.131 . . . . 0.0 109.895 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -79.05 -37.31 39.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.841 -0.537 . . . . 0.0 110.92 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.46 79.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.426 -0.797 . . . . 0.0 111.124 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.55 -43.37 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.52 -0.737 . . . . 0.0 110.671 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 22.7 t90 -60.02 -36.56 77.51 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.583 -0.698 . . . . 0.0 110.358 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.687 -0.633 . . . . 0.0 110.624 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.81 73.97 Favored Glycine 0 N--CA 1.496 2.694 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 95.1 mt -66.03 -43.11 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.564 -0.962 . . . . 0.0 110.387 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.04 -49.47 77.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.412 -0.805 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.51 -0.744 . . . . 0.0 111.287 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.88 -47.41 85.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.429 -0.794 . . . . 0.0 110.585 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -60.0 -45.62 92.14 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 0.0 110.925 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -60.39 -38.75 84.95 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.433 -0.792 . . . . 0.0 111.667 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 121.177 0.513 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.6 p -56.99 171.08 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.927 0.87 . . . . 0.0 111.554 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 34' ' ' ILE . 48.0 mm -68.6 -34.79 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.24 -52.85 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.209 -0.932 . . . . 0.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.171 -0.956 . . . . 0.0 111.777 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.9 -45.63 91.93 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.321 -0.862 . . . . 0.0 111.023 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 23' ' ' LEU . 95.7 mt -60.68 -40.0 90.55 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.431 -0.793 . . . . 0.0 110.972 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.48 93.88 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.485 -0.759 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -59.87 -31.7 70.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.743 -0.598 . . . . 0.0 110.909 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -93.59 12.56 24.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.299 -0.876 . . . . 0.0 110.346 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.96 75.87 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 m -122.94 141.04 52.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.629 -0.924 . . . . 0.0 110.63 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.5 m -160.9 25.49 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.564 -0.71 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 t -112.58 -19.6 12.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.277 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.7 m -95.64 1.56 53.68 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.182 -0.949 . . . . 0.0 111.466 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 14' ' ' LEU . 60.6 tp -57.43 -39.73 76.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.19 -0.944 . . . . 0.0 110.759 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.47 -36.81 55.74 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.365 -0.835 . . . . 0.0 111.8 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.08 -43.61 98.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.115 -0.99 . . . . 0.0 110.967 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.33 -40.06 89.64 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.8 p -64.76 -40.2 94.89 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.42 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.1 m -68.15 -17.23 64.29 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.571 -0.706 . . . . 0.0 111.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -101.64 -12.29 18.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.058 -1.026 . . . . 0.0 112.232 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.06 8.58 57.8 Favored Glycine 0 N--CA 1.501 3.026 0 C-N-CA 120.071 -1.062 . . . . 0.0 110.727 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -97.12 111.42 23.66 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.305 -1.115 . . . . 0.0 109.503 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -130.81 22.39 4.99 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.43 -0.794 . . . . 0.0 111.501 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -146.95 142.82 27.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.114 -0.991 . . . . 0.0 110.06 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 10' ' ' ILE . 27.6 mm -60.08 -39.99 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.506 -0.746 . . . . 0.0 109.608 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -51.52 -24.13 4.87 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.0 111.185 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -69.77 -38.36 76.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.466 -0.771 . . . . 0.0 110.432 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.8 pt -102.73 9.05 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.525 -0.735 . . . . 0.0 112.331 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.994 -1.066 . . . . 0.0 111.526 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.51 -20.39 18.42 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.187 -0.946 . . . . 0.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.46 147.08 46.36 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.492 -0.755 . . . . 0.0 110.816 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -102.37 169.72 8.51 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptm -60.79 -40.8 93.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.333 -0.854 . . . . 0.0 110.615 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -64.85 -40.03 94.51 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.421 -0.799 . . . . 0.0 110.339 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -63.9 -32.53 74.09 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.538 0.685 . . . . 0.0 109.506 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' A' ' 50' ' ' ILE . 34.3 tp -67.0 -20.88 65.95 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 111.171 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -46.4 77.32 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.157 -0.965 . . . . 0.0 110.721 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -51.9 -21.55 3.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.102 -0.999 . . . . 0.0 110.916 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 50' ' ' ILE . 6.2 tp -75.96 10.53 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.334 -0.854 . . . . 0.0 112.521 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 15.4 mmtt 77.12 1.85 3.17 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.541 -0.724 . . . . 0.0 112.079 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.789 HD11 HD23 ' A' ' 48' ' ' LEU . 81.3 mt -77.69 139.51 62.78 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.881 -1.137 . . . . 0.0 109.87 178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.49 171.76 17.03 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 O-C-N 123.68 1.358 . . . . 0.0 109.008 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.62 -23.03 66.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.176 -0.953 . . . . 0.0 111.158 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.99 -36.05 76.33 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.425 -0.797 . . . . 0.0 110.692 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.96 -5.98 25.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 0.0 111.219 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' A' ' 45' ' ' LEU . 17.6 mtm180 -70.82 -52.41 20.6 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.945 -1.097 . . . . 0.0 110.66 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -75.72 -32.66 60.14 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.569 -0.707 . . . . 0.0 110.46 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.94 87.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.0 mt -71.75 -40.13 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.407 -0.808 . . . . 0.0 110.354 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.715 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 t90 -60.0 -36.86 78.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.632 -0.667 . . . . 0.0 110.722 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -60.05 -40.02 87.96 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.699 -0.625 . . . . 0.0 110.828 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.67 -30.11 74.45 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' TRP . 94.9 mt -66.73 -40.02 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.429 -1.041 . . . . 0.0 110.79 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.03 -50.24 74.51 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.085 -1.01 . . . . 0.0 109.984 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -58.25 -34.69 70.74 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.474 -0.766 . . . . 0.0 110.312 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . 48.0 t-80 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.827 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -63.56 -40.1 96.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.496 -0.752 . . . . 0.0 111.156 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -60.4 -39.94 89.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.633 -0.667 . . . . 0.0 112.376 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.8 pp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.968 -1.082 . . . . 0.0 111.076 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 95.7 p -60.42 166.51 3.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.292 -0.88 . . . . 0.0 111.413 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.69 -35.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.806 -0.559 . . . . 0.0 110.69 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 23' ' ' LEU . 62.3 t -52.26 -55.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.292 -0.88 . . . . 0.0 111.315 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.332 -0.855 . . . . 0.0 111.461 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.02 -40.48 89.44 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.682 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.46 -40.02 95.27 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.396 -0.815 . . . . 0.0 110.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.91 95.46 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 109.616 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -60.09 -28.74 68.08 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.136 0.493 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 tp -93.75 12.88 24.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.547 -0.721 . . . . 0.0 109.692 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.58 27.95 70.56 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.2 m -123.92 136.8 54.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.581 -0.952 . . . . 0.0 110.941 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -153.02 21.75 0.57 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.491 -0.755 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -99.19 -20.2 16.74 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.36 -0.838 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.76 3.64 54.78 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.349 -0.845 . . . . 0.0 111.001 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 11' ' ' VAL . 64.6 tp -59.93 -41.55 92.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 27' ' ' THR . 56.4 t0 -54.84 -37.78 66.61 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.263 -0.898 . . . . 0.0 111.452 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 54.9 m-85 -62.93 -44.1 96.99 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.078 -1.014 . . . . 0.0 111.71 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.77 -42.25 74.09 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.048 -1.032 . . . . 0.0 111.24 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -66.12 -39.93 90.3 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.784 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -68.75 -18.4 64.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.505 -0.747 . . . . 0.0 110.936 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -100.32 -12.51 19.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.163 -0.961 . . . . 0.0 112.015 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.26 6.56 58.77 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.7 114.24 26.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.249 -1.148 . . . . 0.0 109.654 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -131.62 29.92 4.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.619 -0.676 . . . . 0.0 111.545 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -155.74 157.22 36.19 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.974 -1.079 . . . . 0.0 111.255 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.98 -39.19 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 48.1 m-85 -54.54 -23.75 17.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.699 -0.625 . . . . 0.0 110.653 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.01 -34.96 73.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.507 -0.745 . . . . 0.0 109.706 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 45.8 pt -116.58 24.82 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.553 -0.717 . . . . 0.0 111.778 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 15.6 mm-40 -60.0 -39.67 86.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.158 -0.964 . . . . 0.0 111.718 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.9 -2.63 25.91 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.282 -0.886 . . . . 0.0 111.14 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 8.8 m-85 -62.71 142.15 58.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.08 -1.013 . . . . 0.0 109.573 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.3 m -100.12 177.88 4.95 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.529 -0.732 . . . . 0.0 109.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mtp -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.582 -0.699 . . . . 0.0 110.511 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.68 -40.01 88.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.575 -0.703 . . . . 0.0 109.765 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -61.09 -38.39 86.08 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.25 0.548 . . . . 0.0 110.283 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 55' ' ' ARG . 45.1 tp -63.95 -26.57 68.65 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.643 -0.661 . . . . 0.0 110.354 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.49 74.86 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 0.0 110.217 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -49.97 -24.76 2.76 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.392 -0.817 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.97 8.11 2.23 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.437 -0.789 . . . . 0.0 112.248 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 20.8 mmmt 78.25 1.73 2.72 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 123.411 0.684 . . . . 0.0 111.689 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 48' ' ' LEU . 82.6 mt -75.64 144.61 77.39 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 120.964 -1.085 . . . . 0.0 109.723 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -84.17 171.63 10.11 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 O-C-N 123.837 1.44 . . . . 0.0 109.049 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.07 -27.25 68.98 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.081 -1.012 . . . . 0.0 111.304 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -35.23 74.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.422 -0.799 . . . . 0.0 110.802 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -98.23 -7.89 28.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.353 -0.842 . . . . 0.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 45' ' ' LEU . 8.8 mtm180 -70.09 -46.31 65.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.968 -1.082 . . . . 0.0 110.605 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 25.0 p80 -76.25 -31.84 58.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.444 -0.785 . . . . 0.0 110.915 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -67.4 -46.83 72.1 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.446 -0.784 . . . . 0.0 111.307 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -72.73 -42.73 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.0 t90 -59.88 -40.33 88.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.561 -0.712 . . . . 0.0 111.436 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.01 -39.93 87.48 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.377 -0.827 . . . . 0.0 111.176 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.33 -30.34 77.25 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 59' ' ' TRP . 86.8 mt -65.79 -35.98 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.701 -0.882 . . . . 0.0 110.865 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.93 -50.03 75.35 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.307 -0.871 . . . . 0.0 110.641 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.79 -39.52 85.23 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.36 -0.837 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.614 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.0 t60 -58.89 -33.91 71.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.35 -0.844 . . . . 0.0 111.786 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.4 -40.52 94.7 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.176 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.7 pp . . . . . 0 N--CA 1.499 1.993 0 O-C-N 121.239 -0.913 . . . . 0.0 110.644 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.801 0.334 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.22 -168.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.764 . . . . 0.0 110.711 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -69.9 -40.0 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.691 . . . . 0.0 111.341 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.76 -55.51 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.994 -1.066 . . . . 0.0 111.294 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -41.95 93.15 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.287 -0.883 . . . . 0.0 112.168 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.91 -46.14 90.32 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.282 -0.886 . . . . 0.0 111.568 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.11 -39.96 94.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.876 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.55 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.257 -0.902 . . . . 0.0 109.7 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -63.22 -26.22 68.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.755 -0.59 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -99.6 10.48 41.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.514 -0.741 . . . . 0.0 110.074 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.05 29.77 72.26 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 17' ' ' LEU . 70.8 m -117.54 151.58 36.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.475 -1.015 . . . . 0.0 110.254 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -173.96 -35.82 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.436 -0.79 . . . . 0.0 110.119 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -59.02 -26.67 64.76 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.523 -0.735 . . . . 0.0 111.43 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 m -89.8 0.48 56.99 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 tp -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 0.0 110.446 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -53.83 -36.67 62.8 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.215 -0.928 . . . . 0.0 111.866 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -62.74 -40.06 96.04 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.093 -1.005 . . . . 0.0 110.256 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 95.6 m-85 -67.32 -40.12 85.91 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.283 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 p -65.13 -39.96 93.77 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.414 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -65.82 -19.42 65.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 111.376 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -99.0 -6.07 29.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 112.139 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.43 10.16 66.01 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.6 mt -96.59 112.62 24.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -1.083 . . . . 0.0 109.082 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -134.53 29.99 3.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.698 -0.627 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 p -150.1 142.96 24.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.281 -0.887 . . . . 0.0 110.356 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -66.31 -24.91 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.683 -0.636 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -65.86 -26.13 67.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB3' HD23 ' A' ' 31' ' ' LEU . 22.6 mm-40 -67.33 -39.92 85.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 109.654 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 42.9 pt -102.44 9.89 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.712 -0.618 . . . . 0.0 112.11 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.97 -37.95 81.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.956 -1.09 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.47 -12.03 21.73 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.373 -0.829 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 7.2 m-85 -59.2 143.24 49.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.322 -0.861 . . . . 0.0 111.489 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -102.84 178.87 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.797 -0.564 . . . . 0.0 109.571 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.0 mtp -62.63 -40.0 95.61 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.453 -0.779 . . . . 0.0 110.945 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -68.38 -40.0 81.54 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.384 -0.823 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -64.96 -36.76 85.43 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.67 -0.643 . . . . 0.0 111.108 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 55' ' ' ARG . 48.7 tp -69.98 -25.58 63.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.97 82.59 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.253 -0.905 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.4 p -54.37 -21.11 8.67 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.159 -0.963 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 31' ' ' LEU . 1.2 tp -75.32 4.81 6.5 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.326 -0.859 . . . . 0.0 112.297 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 52.7 mttm 78.45 4.09 2.64 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 123.687 0.795 . . . . 0.0 112.307 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 48' ' ' LEU . 57.4 mt -76.24 134.89 70.11 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.917 -1.114 . . . . 0.0 109.354 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.19 168.39 7.74 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 O-C-N 123.637 1.335 . . . . 0.0 109.301 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 84.4 tt0 -69.53 -30.23 68.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.02 -1.05 . . . . 0.0 110.491 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.12 -22.28 62.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.714 -0.616 . . . . 0.0 110.072 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -101.4 -14.38 17.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 111.303 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HA ' HD23 ' A' ' 45' ' ' LEU . 19.2 mtm180 -69.69 -40.11 76.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.064 -1.022 . . . . 0.0 110.562 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -79.05 -37.9 37.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.461 -0.774 . . . . 0.0 110.69 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -63.66 -43.28 97.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.0 111.373 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -76.62 -40.51 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.337 -0.852 . . . . 0.0 110.767 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.739 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.2 t90 -59.96 -39.39 85.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.494 -0.754 . . . . 0.0 110.911 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.0 -41.32 91.85 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.547 -0.721 . . . . 0.0 111.669 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.35 74.85 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.5 mt -65.8 -41.27 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.953 . . . . 0.0 110.957 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.0 -49.17 78.73 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.316 -0.865 . . . . 0.0 110.651 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.91 -40.34 88.51 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.553 -0.717 . . . . 0.0 111.161 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.716 ' HA ' HD23 ' A' ' 68' ' ' LEU . 84.4 t60 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 110.408 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -64.46 -39.48 93.89 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.697 -0.627 . . . . 0.0 110.694 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.07 -38.14 81.98 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.538 -0.726 . . . . 0.0 111.798 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.2 pp . . . . . 0 N--CA 1.501 2.077 0 O-C-N 121.026 -1.046 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' HD12 ' A' ' 34' ' ' ILE . 28.5 p . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 121.132 0.491 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -59.64 164.94 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.652 0.739 . . . . 0.0 111.205 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.86 -25.86 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.022 -0.424 . . . . 0.0 110.856 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 23' ' ' LEU . 76.1 t -59.96 -52.73 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.312 -0.868 . . . . 0.0 109.876 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.405 -0.809 . . . . 0.0 111.072 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.54 94.94 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.442 -0.786 . . . . 0.0 111.331 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.76 -40.21 96.15 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.381 -0.824 . . . . 0.0 111.077 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.18 96.51 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -60.0 -29.59 68.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.876 -0.515 . . . . 0.0 110.401 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.08 17.22 12.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.565 -0.71 . . . . 0.0 110.389 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.57 26.28 66.4 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.8 m -122.21 129.88 52.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.511 -0.994 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -154.14 24.02 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 109.982 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -100.93 -28.36 12.8 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.446 -0.784 . . . . 0.0 110.961 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.7 m -91.91 5.89 48.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.314 -0.866 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 HG22 ' A' ' 11' ' ' VAL . 56.2 tp -59.56 -43.36 93.58 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.702 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -51.65 -34.48 38.22 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.33 -0.856 . . . . 0.0 111.447 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.88 -40.02 95.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.002 -1.061 . . . . 0.0 109.884 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 78.4 m-85 -67.64 -39.97 84.61 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.383 -0.823 . . . . 0.0 110.606 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 p -65.31 -41.49 93.98 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.588 -0.695 . . . . 0.0 110.112 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -68.8 -14.54 63.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.63 -0.669 . . . . 0.0 111.246 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -14.89 17.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.078 -1.014 . . . . 0.0 112.028 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.56 19.68 47.69 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.21 114.99 29.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.343 -1.092 . . . . 0.0 109.267 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.9 p -133.08 25.6 4.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.162 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -148.75 139.44 22.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.008 -1.058 . . . . 0.0 110.784 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 8' ' ' CYS . 97.2 mt -60.32 -39.88 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.531 -0.731 . . . . 0.0 109.855 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 33.7 m-85 -50.92 -23.25 2.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.395 -0.815 . . . . 0.0 111.063 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -70.03 -37.91 75.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.515 -0.74 . . . . 0.0 109.977 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.9 pt -106.07 17.07 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.507 -0.746 . . . . 0.0 112.395 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.95 -39.25 84.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.986 -1.071 . . . . 0.0 112.418 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -101.24 -3.65 28.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.913 -1.117 . . . . 0.0 111.103 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.41 141.75 57.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.28 -0.888 . . . . 0.0 110.777 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 m -102.26 177.8 4.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.608 -0.683 . . . . 0.0 109.881 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.5 mtp -61.21 -43.64 98.56 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.557 -0.714 . . . . 0.0 111.249 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.0 -39.9 90.7 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.39 -0.819 . . . . 0.0 110.06 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.06 -37.98 81.48 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.832 -0.543 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.7 tp -64.67 -28.93 69.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.603 -0.685 . . . . 0.0 111.258 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.29 70.17 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.177 -0.952 . . . . 0.0 110.382 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 t -50.01 -25.91 3.81 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.487 -0.758 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 50' ' ' ILE . 6.8 tp -71.72 2.95 4.56 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.492 -0.755 . . . . 0.0 112.044 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 7.9 mtpt 78.45 0.19 2.57 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 123.312 0.645 . . . . 0.0 111.334 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 48' ' ' LEU . 96.7 mt -74.73 133.56 76.41 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.128 -0.983 . . . . 0.0 109.602 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.55 172.01 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 O-C-N 123.683 1.359 . . . . 0.0 109.825 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -22.74 63.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.077 -1.014 . . . . 0.0 111.299 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -60.08 -30.51 69.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.529 -0.732 . . . . 0.0 110.474 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -98.81 -2.79 37.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.51 -0.744 . . . . 0.0 111.748 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HA ' HD23 ' A' ' 45' ' ' LEU . 45.7 mtm180 -70.23 -49.49 49.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.825 -1.172 . . . . 0.0 110.342 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -75.8 -34.33 60.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.626 -0.671 . . . . 0.0 110.386 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.85 73.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.467 -0.771 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.78 -42.69 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.365 -0.834 . . . . 0.0 111.383 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -59.92 -35.62 75.29 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.06 -40.46 89.54 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.402 -0.811 . . . . 0.0 110.853 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.06 -31.59 66.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mm -63.82 -39.99 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -1.002 . . . . 0.0 110.83 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -50.0 75.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.406 -0.809 . . . . 0.0 111.063 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -60.3 -39.95 88.79 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.405 -0.81 . . . . 0.0 111.487 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -60.52 -43.56 96.97 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 110.032 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.0 -39.12 84.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.694 -0.629 . . . . 0.0 110.102 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.02 -38.86 83.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.692 -0.63 . . . . 0.0 111.135 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 O-C-N 121.41 -0.807 . . . . 0.0 109.918 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -58.98 163.18 3.66 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 122.087 0.946 . . . . 0.0 111.962 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -70.03 -34.63 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.311 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -49.79 -50.6 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 120.937 -1.102 . . . . 0.0 110.474 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -59.95 -39.81 86.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.614 -0.678 . . . . 0.0 110.905 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.94 -49.98 75.54 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.4 -0.812 . . . . 0.0 111.929 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.36 -39.14 86.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.366 -0.834 . . . . 0.0 110.731 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.2 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.354 -0.841 . . . . 0.0 109.385 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.99 -29.95 69.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.784 -0.572 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -100.03 15.17 28.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.323 -0.861 . . . . 0.0 110.617 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.05 73.82 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -122.64 150.23 42.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.482 -1.011 . . . . 0.0 110.124 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -173.85 -36.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.437 -0.789 . . . . 0.0 110.163 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 m -51.16 -24.66 4.36 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.489 -0.757 . . . . 0.0 111.81 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -91.91 2.53 56.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.242 -0.911 . . . . 0.0 111.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.29 -39.95 80.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.201 -0.937 . . . . 0.0 111.186 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.75 -33.56 48.91 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.23 -0.919 . . . . 0.0 111.62 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 48' ' ' LEU . 36.8 m-85 -63.06 -42.85 99.78 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.7 m-85 -69.96 -40.12 75.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.241 -0.912 . . . . 0.0 110.956 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -60.93 -50.04 75.01 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.753 -0.592 . . . . 0.0 111.086 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -66.76 -9.81 40.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.42 -0.8 . . . . 0.0 111.872 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 28' ' ' THR . 55.4 mm-40 -99.37 -14.63 19.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.021 -1.049 . . . . 0.0 111.821 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.65 14.47 43.62 Favored Glycine 0 N--CA 1.499 2.867 0 C-N-CA 120.106 -1.045 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.38 113.61 27.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.319 -1.106 . . . . 0.0 109.6 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -129.35 22.5 5.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.451 -0.781 . . . . 0.0 112.274 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.42 ' CB ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -147.36 143.3 27.9 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.88 -1.138 . . . . 0.0 110.086 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 35' ' ' TYR . 19.8 tt -65.12 -38.1 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.727 -0.608 . . . . 0.0 111.023 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' HA ' ' HG3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -60.0 -27.27 66.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 110.742 -178.587 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HG3' ' CB ' ' A' ' 33' ' ' THR . 13.5 mt-30 -64.74 -37.21 86.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.632 -0.667 . . . . 0.0 110.911 -178.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 pt -92.46 26.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.324 -0.86 . . . . 0.0 110.778 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.468 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 76.9 mt-10 -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.344 -0.847 . . . . 0.0 112.573 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -108.13 -3.96 18.13 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.962 -1.086 . . . . 0.0 113.035 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.493 ' HE2' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -56.66 142.94 38.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.961 -1.087 . . . . 0.0 110.956 -178.518 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -103.41 -179.26 3.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.212 -0.93 . . . . 0.0 110.571 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.66 -40.0 93.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.361 0.6 . . . . 0.0 110.374 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.02 -40.07 75.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.6 -0.688 . . . . 0.0 111.027 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.32 -38.91 88.56 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.882 -0.511 . . . . 0.0 110.741 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 55' ' ' ARG . 55.9 tp -67.5 -30.25 69.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.287 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.214 -0.929 . . . . 0.0 109.938 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.9 t -51.84 -24.0 5.53 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.261 -0.899 . . . . 0.0 110.08 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.17 4.38 3.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.415 -0.803 . . . . 0.0 111.842 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 89.6 mttt 79.34 3.05 2.29 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 123.697 0.799 . . . . 0.0 111.687 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.594 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 90.4 mt -78.24 142.54 63.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.948 -1.095 . . . . 0.0 109.166 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.17 168.25 25.12 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.754 1.397 . . . . 0.0 108.937 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.34 -27.82 67.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.127 -0.983 . . . . 0.0 110.376 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.05 -30.15 69.0 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.48 -12.11 20.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.575 -0.703 . . . . 0.0 111.016 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HA ' HD23 ' A' ' 45' ' ' LEU . 23.1 mtm180 -69.74 -40.07 76.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.992 -1.068 . . . . 0.0 110.775 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 23.2 p80 -82.9 -28.34 30.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.31 -0.869 . . . . 0.0 110.826 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -70.23 -44.99 67.44 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.394 -0.816 . . . . 0.0 110.978 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -72.82 -40.48 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.717 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.626 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.5 t90 -59.89 -36.83 77.77 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.661 -0.649 . . . . 0.0 110.883 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.1 -39.89 87.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.636 -0.665 . . . . 0.0 111.308 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.34 72.54 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.0 mt -67.47 -40.05 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.416 -1.049 . . . . 0.0 110.916 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.99 -50.83 72.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.353 -0.842 . . . . 0.0 110.968 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.02 -38.08 81.65 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.976 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.368 -0.832 . . . . 0.0 109.662 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.61 -40.56 92.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.693 -0.63 . . . . 0.0 109.95 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -62.36 -37.68 86.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.727 -0.608 . . . . 0.0 110.772 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.586 -0.696 . . . . 0.0 110.522 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -57.2 171.31 0.4 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.331 -0.856 . . . . 0.0 111.262 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.0 -39.29 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.722 -0.611 . . . . 0.0 111.926 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG22 HD11 ' A' ' 23' ' ' LEU . 57.9 t -51.04 -52.65 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 O-C-N 120.94 -1.1 . . . . 0.0 111.277 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -60.0 -40.03 87.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.36 -0.838 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.92 -47.32 86.27 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.545 -0.722 . . . . 0.0 111.32 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD13 ' A' ' 23' ' ' LEU . 85.4 mt -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.419 -0.801 . . . . 0.0 109.849 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.93 92.99 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.669 -0.644 . . . . 0.0 109.774 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.04 -27.75 67.18 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.747 -0.596 . . . . 0.0 110.122 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.45 10.58 40.53 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.587 -0.696 . . . . 0.0 109.843 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.32 76.13 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -121.27 137.81 54.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.485 -1.009 . . . . 0.0 111.054 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p -158.6 22.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.252 -0.905 . . . . 0.0 110.479 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.1 p -104.43 -20.26 13.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.222 -0.924 . . . . 0.0 111.142 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.3 m -100.06 3.05 43.84 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.297 -0.877 . . . . 0.0 111.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 11' ' ' VAL . 47.6 tp -57.8 -40.03 78.94 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.199 -0.938 . . . . 0.0 110.543 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 27' ' ' THR . 66.6 m-20 -51.73 -33.88 36.63 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.497 -0.752 . . . . 0.0 112.136 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -64.37 -40.65 96.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.28 -0.887 . . . . 0.0 111.113 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -70.0 -41.11 74.8 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.413 -0.805 . . . . 0.0 111.398 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -70.27 -40.03 74.6 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.443 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -67.31 -18.71 65.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.502 -0.749 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -101.64 -8.41 21.84 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.264 -0.898 . . . . 0.0 112.041 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.48 -0.91 63.74 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.493 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 48' ' ' LEU . 3.8 mp -91.02 111.39 22.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 108.787 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' HG23 ' A' ' 33' ' ' THR . 73.4 p -130.21 23.52 5.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.619 -0.676 . . . . 0.0 111.626 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 32' ' ' THR . 71.0 p -147.68 151.28 35.88 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.05 -1.032 . . . . 0.0 110.509 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.98 -39.97 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 CA-C-O 121.375 0.607 . . . . 0.0 109.549 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.33 -26.22 11.68 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.765 -0.584 . . . . 0.0 111.507 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mm100 -70.04 -33.3 71.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.438 -0.789 . . . . 0.0 109.956 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.23 10.04 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 111.997 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.04 -37.45 79.86 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.0 -1.063 . . . . 0.0 110.866 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -100.36 -16.56 17.6 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.4 -0.813 . . . . 0.0 111.327 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 13.3 m-85 -61.16 143.14 56.07 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.32 -0.863 . . . . 0.0 110.548 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -101.81 -177.85 3.54 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.49 -40.11 96.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.854 -0.529 . . . . 0.0 111.165 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.87 -39.99 75.99 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 110.342 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.94 -35.64 80.79 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.332 0.587 . . . . 0.0 109.701 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HG2' ' A' ' 55' ' ' ARG . 24.7 tp -64.91 -29.94 70.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.744 -0.597 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . . . -56.06 -43.2 77.7 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.304 -0.873 . . . . 0.0 108.925 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -50.04 -27.88 6.21 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.777 -0.577 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 tp -78.32 10.18 3.26 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.337 -0.852 . . . . 0.0 112.265 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 3.1 mtpp 79.24 5.34 2.2 Favored 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 123.339 0.655 . . . . 0.0 111.964 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 45' ' ' LEU . 87.1 mt -78.29 146.34 70.4 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 120.98 -1.075 . . . . 0.0 109.503 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.83 163.8 10.46 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 O-C-N 123.59 1.311 . . . . 0.0 109.242 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -60.76 -25.77 66.75 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.138 -0.976 . . . . 0.0 110.737 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.07 -36.66 77.84 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.119 0.961 . . . . 0.0 110.289 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -97.35 -16.9 20.05 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.265 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.745 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.0 mtm180 -69.97 -40.01 75.65 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.031 -1.043 . . . . 0.0 110.911 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -76.45 -39.94 51.91 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.49 -0.756 . . . . 0.0 111.676 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.61 75.71 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.413 -0.804 . . . . 0.0 111.52 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.57 -44.18 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.1 t90 -60.04 -40.05 88.06 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.488 -0.757 . . . . 0.0 110.259 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 0.0 110.241 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -29.02 67.65 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.0 mt -63.22 -39.66 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.544 -0.974 . . . . 0.0 110.776 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.03 -47.73 84.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.157 -0.965 . . . . 0.0 110.12 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.94 -39.3 81.22 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.371 -0.831 . . . . 0.0 110.482 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.42 ' HA ' HD23 ' A' ' 68' ' ' LEU . 77.2 t60 -60.02 -40.03 87.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.764 -0.585 . . . . 0.0 110.426 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.42 -40.03 92.86 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.44 -0.788 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.191 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.146 -0.971 . . . . 0.0 111.071 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.828 0.347 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -56.38 179.71 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.445 -0.784 . . . . 0.0 111.222 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.09 -39.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.733 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 23' ' ' LEU . 93.4 t -51.37 -55.41 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 O-C-N 121.343 -0.848 . . . . 0.0 111.459 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.342 -0.849 . . . . 0.0 111.087 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 62' ' ' ILE . 72.4 t80 -60.06 -44.59 94.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.474 -0.766 . . . . 0.0 111.801 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.92 -39.97 91.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.212 -0.93 . . . . 0.0 110.799 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.4 96.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.535 -0.728 . . . . 0.0 109.451 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -29.37 69.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.872 -0.518 . . . . 0.0 110.217 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' ' 57' ' ' ALA . 25.4 tp -97.77 13.8 29.17 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.277 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.94 27.52 73.64 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.5 m -114.41 151.98 32.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.502 -0.999 . . . . 0.0 109.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -173.14 -36.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -60.07 -25.75 65.62 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.47 7.61 35.18 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.212 -0.93 . . . . 0.0 111.248 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 11' ' ' VAL . 47.5 tp -59.39 -39.96 85.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.293 -0.879 . . . . 0.0 110.257 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 27' ' ' THR . 39.4 t0 -52.71 -37.22 58.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.394 -0.816 . . . . 0.0 112.355 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -63.7 -40.5 96.95 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.789 -1.195 . . . . 0.0 111.051 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 84.8 m-85 -70.1 -41.57 73.85 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.387 -0.821 . . . . 0.0 111.801 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 24' ' ' ASP . 8.2 t -66.06 -39.37 90.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.7 m -67.8 -17.41 64.51 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.552 -0.717 . . . . 0.0 111.442 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -98.72 -9.42 24.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.069 -1.019 . . . . 0.0 112.635 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 16.75 57.66 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.82 113.21 25.92 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.378 -1.072 . . . . 0.0 109.365 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -134.71 28.36 3.59 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.09 139.42 22.37 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.215 -0.928 . . . . 0.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.14 -30.1 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.621 -0.674 . . . . 0.0 109.357 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.05 -25.47 65.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.761 -0.587 . . . . 0.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.98 -30.0 67.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.584 -0.697 . . . . 0.0 110.064 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.3 pt -111.09 13.43 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 112.543 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.95 -38.3 82.04 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.867 -1.145 . . . . 0.0 110.755 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -98.7 -13.21 20.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.451 -0.781 . . . . 0.0 111.211 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.92 139.92 57.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.253 -0.905 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -101.55 -178.43 3.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.578 -0.701 . . . . 0.0 109.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 98.7 mtp -63.11 -39.91 96.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.529 -0.732 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -67.25 -39.99 86.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.102 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.09 -34.23 77.57 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.271 0.558 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.5 tp -68.64 -22.96 64.38 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.572 -0.705 . . . . 0.0 111.3 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.89 84.58 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.11 -0.994 . . . . 0.0 109.844 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -50.52 -24.7 3.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.356 -0.84 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -75.67 8.04 3.29 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 112.13 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 55.7 mttm 70.12 8.91 6.87 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.43 -0.794 . . . . 0.0 112.493 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 48' ' ' LEU . 25.0 mt -78.54 137.45 59.19 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 109.101 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.35 171.44 16.12 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.639 1.336 . . . . 0.0 109.546 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.3 mt-10 -66.11 -28.83 69.11 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.023 -1.048 . . . . 0.0 110.975 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.18 -28.73 68.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.508 -0.745 . . . . 0.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.47 -12.08 18.09 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.65 -0.656 . . . . 0.0 111.148 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 45' ' ' LEU . 27.6 mtm-85 -71.63 -45.92 60.64 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -79.06 -27.79 43.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.337 -0.852 . . . . 0.0 110.786 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -72.53 -44.79 61.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.413 -0.804 . . . . 0.0 110.987 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.3 mt -71.84 -43.72 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.428 -0.795 . . . . 0.0 110.448 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 16.5 t90 -59.98 -39.33 85.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.625 -0.672 . . . . 0.0 110.566 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -59.92 -40.03 87.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.616 -0.677 . . . . 0.0 111.29 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.11 59.92 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.414 HG13 ' CZ ' ' A' ' 13' ' ' PHE . 85.4 mt -68.91 -39.98 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.412 -1.052 . . . . 0.0 110.789 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -60.59 -44.93 95.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 81.3 m-20 -58.75 -38.01 77.48 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.183 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.7 t60 -50.32 -28.53 8.04 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.633 -0.667 . . . . 0.0 110.748 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.96 -40.82 75.19 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.502 -0.749 . . . . 0.0 111.395 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -65.07 -39.99 94.05 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.3 pp . . . . . 0 N--CA 1.499 1.982 0 O-C-N 121.091 -1.005 . . . . 0.0 111.055 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.109 0.48 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.0 p -58.98 -171.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.501 -0.75 . . . . 0.0 110.946 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -70.02 -38.67 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.749 -0.595 . . . . 0.0 111.186 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 23' ' ' LEU . 83.4 t -58.19 -50.89 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.401 -0.812 . . . . 0.0 110.851 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -60.01 -42.08 93.55 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.175 -0.953 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.93 -40.71 89.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.432 -0.792 . . . . 0.0 111.493 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.88 87.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.009 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.26 96.71 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.206 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -61.91 -26.04 67.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.609 -0.682 . . . . 0.0 110.56 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD21 ' O ' ' A' ' 57' ' ' ALA . 19.2 tp -100.1 7.82 44.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.424 -0.797 . . . . 0.0 110.26 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.32 30.8 73.62 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.8 159.48 20.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.906 . . . . 0.0 110.66 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.03 -37.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.371 -0.83 . . . . 0.0 109.934 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -60.5 -23.62 64.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.561 -0.712 . . . . 0.0 111.334 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.26 0.71 57.1 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.256 -0.903 . . . . 0.0 111.221 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 11' ' ' VAL . 53.7 tp -59.8 -40.76 89.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.27 -0.894 . . . . 0.0 111.058 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -54.86 -37.67 66.53 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.182 -0.949 . . . . 0.0 111.692 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -60.54 -41.16 93.9 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.196 -0.94 . . . . 0.0 110.86 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' A' ' 48' ' ' LEU . 80.2 m-85 -69.85 -39.99 76.08 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.405 -0.809 . . . . 0.0 111.357 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -65.93 -40.03 91.04 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.47 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -67.85 -17.3 64.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.584 -0.697 . . . . 0.0 111.526 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' CB ' HD12 ' A' ' 31' ' ' LEU . 29.5 mm-40 -99.73 -8.57 24.11 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.182 -0.949 . . . . 0.0 112.451 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.6 14.09 55.92 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 48' ' ' LEU . 2.1 mp -99.01 111.81 24.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.279 -1.13 . . . . 0.0 108.813 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 33' ' ' THR . 32.0 p -129.04 26.82 5.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.75 -0.593 . . . . 0.0 110.915 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -155.66 140.2 16.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.313 -0.867 . . . . 0.0 110.712 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 35' ' ' TYR . 14.9 tt -60.04 -37.54 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 57.5 m-85 -56.32 -21.23 22.94 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.634 -0.666 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.62 -38.51 80.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.468 -0.77 . . . . 0.0 110.415 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 pt -109.66 19.03 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 119.695 -0.802 . . . . 0.0 112.116 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 43.5 mm-40 -60.08 -36.02 76.46 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.052 -1.03 . . . . 0.0 111.02 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.88 -14.4 21.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.437 -0.789 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 9.8 m-85 -62.29 141.79 58.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.368 -0.832 . . . . 0.0 111.211 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -106.97 -175.91 2.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.669 -0.644 . . . . 0.0 109.427 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 64.8 mtt -60.04 -40.19 88.52 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.449 -0.782 . . . . 0.0 111.12 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -66.52 -39.98 88.92 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.212 -0.93 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 75.8 m-20 -64.34 -34.48 78.25 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.642 -0.661 . . . . 0.0 109.853 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 55' ' ' ARG . 29.0 tp -69.68 -26.69 64.49 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.818 -0.551 . . . . 0.0 111.845 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -46.15 72.27 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.897 -1.127 . . . . 0.0 110.313 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 t -52.75 -23.43 6.77 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.3 -0.875 . . . . 0.0 110.585 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 50' ' ' ILE . 5.4 tp -73.83 4.02 5.82 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.394 -0.816 . . . . 0.0 112.276 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 25.4 mmmt 77.54 4.29 3.07 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.666 -0.647 . . . . 0.0 111.911 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 48' ' ' LEU . 66.0 mt -78.65 152.45 77.91 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.71 -1.244 . . . . 0.0 109.386 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.81 171.46 8.25 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 O-C-N 123.55 1.29 . . . . 0.0 109.611 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.36 -30.26 71.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.14 -0.975 . . . . 0.0 110.577 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.11 -27.58 67.14 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.54 -0.725 . . . . 0.0 109.862 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' HD12 ' A' ' 58' ' ' ILE . 13.5 m-85 -100.42 -15.26 18.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.597 -0.689 . . . . 0.0 110.701 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 45' ' ' LEU . 54.7 mtm-85 -70.01 -45.45 67.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.087 -1.008 . . . . 0.0 110.15 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -72.51 -40.04 67.16 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.434 -0.791 . . . . 0.0 111.668 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -66.94 -42.44 85.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.473 -0.767 . . . . 0.0 111.758 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 54' ' ' PHE . 93.3 mt -73.51 -47.59 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.549 -0.719 . . . . 0.0 111.35 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.679 ' HA ' HD12 ' A' ' 62' ' ' ILE . 63.5 t90 -60.05 -37.82 80.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.48 -0.763 . . . . 0.0 111.302 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.82 -40.05 87.12 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.378 -0.826 . . . . 0.0 110.711 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.11 -32.11 69.29 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.0 mt -67.21 -40.07 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.429 -1.042 . . . . 0.0 111.114 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -60.39 -43.33 96.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.334 -0.854 . . . . 0.0 110.26 -179.313 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 90.0 m-20 -59.88 -40.1 87.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.306 -0.872 . . . . 0.0 110.506 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -59.98 -43.81 94.89 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.523 -0.736 . . . . 0.0 110.132 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.17 -36.79 78.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.627 -0.671 . . . . 0.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -59.9 -38.79 83.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.456 -0.778 . . . . 0.0 110.893 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 O-C-N 121.492 -0.755 . . . . 0.0 110.676 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.784 ' HB3' HD12 ' A' ' 34' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 121.148 0.499 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.6 p -56.81 175.9 0.11 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.426 -0.796 . . . . 0.0 111.307 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.56 -37.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.857 -0.527 . . . . 0.0 110.858 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.48 HG22 HD21 ' A' ' 23' ' ' LEU . 60.1 t -50.14 -51.67 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.289 -0.882 . . . . 0.0 111.176 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -60.79 -40.24 91.89 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.449 -0.782 . . . . 0.0 112.056 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.151 -0.968 . . . . 0.0 111.012 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.46 -40.05 95.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.491 -0.756 . . . . 0.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.92 98.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.585 -0.697 . . . . 0.0 109.576 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -59.98 -31.54 70.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.777 -0.577 . . . . 0.0 110.056 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.3 14.39 16.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.489 -0.757 . . . . 0.0 110.435 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.11 72.91 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.86 142.9 51.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.032 . . . . 0.0 110.732 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.34 26.74 0.24 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.4 p -111.23 -15.49 13.63 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.441 -0.787 . . . . 0.0 111.516 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.61 0.04 41.31 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.163 -0.961 . . . . 0.0 111.301 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD21 HG22 ' A' ' 11' ' ' VAL . 40.8 tp -60.02 -40.23 88.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.316 -0.865 . . . . 0.0 110.826 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.37 -36.55 63.98 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.38 -0.825 . . . . 0.0 111.904 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.92 -40.0 93.98 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.076 -1.015 . . . . 0.0 110.299 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 50' ' ' ILE . 87.4 m-85 -69.81 -40.01 76.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.422 -0.799 . . . . 0.0 110.626 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.8 p -64.35 -41.37 96.79 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.267 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 m -67.73 -15.14 63.49 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.669 -0.644 . . . . 0.0 111.113 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' CB ' ' CD1' ' A' ' 31' ' ' LEU . 44.5 mm-40 -100.42 -13.45 18.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.109 -0.994 . . . . 0.0 111.997 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 10.63 56.39 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -101.14 114.96 29.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.354 -1.086 . . . . 0.0 109.738 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 33' ' ' THR . 6.9 p -129.91 32.54 4.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.633 -0.667 . . . . 0.0 111.154 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 32' ' ' THR . 1.4 p -155.86 147.81 23.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.19 -0.944 . . . . 0.0 110.702 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 8' ' ' CYS . 96.6 mt -62.57 -40.03 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.687 -0.633 . . . . 0.0 109.96 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 71.9 m-85 -52.95 -23.51 7.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.54 -0.725 . . . . 0.0 111.096 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HB3' HD23 ' A' ' 31' ' ' LEU . 14.4 mm100 -69.96 -36.27 75.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.745 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 62' ' ' ILE . 47.5 pt -99.95 2.28 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.679 -0.638 . . . . 0.0 112.102 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 57.2 mt-10 -59.92 -37.11 78.53 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.881 -1.137 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -92.47 -24.69 18.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.327 -0.858 . . . . 0.0 110.341 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.01 138.63 57.81 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 110.299 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -172.57 2.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.086 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.82 -42.48 97.79 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.514 -0.741 . . . . 0.0 110.502 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -63.63 -39.92 95.59 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.469 -0.769 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -65.67 -37.97 88.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.865 -0.522 . . . . 0.0 111.409 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 55' ' ' ARG . 33.4 tp -63.91 -36.37 83.72 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.561 -0.712 . . . . 0.0 110.534 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.85 74.47 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.366 -0.834 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -50.05 -25.5 3.47 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.233 -0.917 . . . . 0.0 110.739 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 HD11 ' A' ' 50' ' ' ILE . 4.5 tp -75.48 10.35 1.72 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.411 -0.805 . . . . 0.0 112.169 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 74.7 mttt 79.97 -0.16 2.08 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 124.244 1.017 . . . . 0.0 111.914 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 48' ' ' LEU . 70.7 mt -78.58 128.25 78.0 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.004 -1.06 . . . . 0.0 109.337 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.95 166.97 12.99 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 O-C-N 123.575 1.302 . . . . 0.0 110.087 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.3 mt-10 -70.01 -26.11 63.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.191 -0.943 . . . . 0.0 111.535 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.02 -35.62 75.47 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.291 -0.88 . . . . 0.0 110.352 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -95.38 -6.11 41.75 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.55 -0.719 . . . . 0.0 110.375 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' ' 45' ' ' LEU . 12.8 mtp180 -70.94 -39.92 72.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.019 -1.051 . . . . 0.0 110.357 178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.81 -40.06 55.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.554 -0.716 . . . . 0.0 110.913 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.16 74.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.4 -0.812 . . . . 0.0 111.651 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.34 -46.08 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.455 -0.778 . . . . 0.0 111.244 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.612 ' HA ' HD12 ' A' ' 62' ' ' ILE . 47.4 t90 -59.96 -40.04 87.65 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.544 -0.722 . . . . 0.0 111.292 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.381 -0.824 . . . . 0.0 111.454 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.12 -26.8 59.14 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.8 mt -67.09 -35.9 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.56 -0.965 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.94 -51.27 70.41 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.353 -0.842 . . . . 0.0 109.996 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -58.06 -38.09 75.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.584 -0.698 . . . . 0.0 110.383 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -60.09 -39.9 87.73 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.52 -0.737 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.04 -42.44 94.43 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.449 -0.782 . . . . 0.0 111.671 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.18 -36.35 83.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.318 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 0.0 110.484 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.059 0.456 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -59.49 169.76 1.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.014 0.912 . . . . 0.0 111.748 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 31' ' ' LEU . 96.3 mt -68.75 -33.95 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.377 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 23' ' ' LEU . 94.3 t -55.86 -52.32 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.109 -0.995 . . . . 0.0 110.636 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 m -60.02 -40.2 88.5 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.289 -0.882 . . . . 0.0 111.364 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB2' HD11 ' A' ' 34' ' ' ILE . 84.3 t80 -60.02 -40.1 88.15 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.468 -0.77 . . . . 0.0 110.812 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 23' ' ' LEU . 76.8 mt -64.65 -39.89 94.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.609 -0.682 . . . . 0.0 110.67 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.86 92.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.44 -0.787 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -60.08 -29.02 68.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.543 -0.723 . . . . 0.0 110.214 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.668 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -96.52 13.06 29.31 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.596 -0.69 . . . . 0.0 110.112 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.0 27.68 73.05 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.4 m -116.85 152.46 34.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.445 -1.032 . . . . 0.0 110.091 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -173.01 -34.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.226 -0.921 . . . . 0.0 110.268 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -58.21 -26.41 62.8 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.369 -0.832 . . . . 0.0 111.51 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.5 m -90.05 2.69 54.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.173 -0.954 . . . . 0.0 111.224 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 11' ' ' VAL . 54.0 tp -58.87 -39.55 81.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.316 -0.865 . . . . 0.0 110.403 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.98 -37.54 45.4 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.256 -0.902 . . . . 0.0 112.472 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -64.33 -42.48 96.27 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.97 -1.081 . . . . 0.0 111.272 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 50' ' ' ILE . 63.5 m-85 -67.45 -40.0 85.36 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 110.526 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 p -63.7 -41.78 98.07 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -68.68 -14.11 62.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.601 . . . . 0.0 111.328 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -98.95 -13.29 20.02 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.103 -0.998 . . . . 0.0 111.89 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.27 19.98 47.51 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -97.35 112.82 24.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -1.024 . . . . 0.0 109.408 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 p -125.94 27.17 6.42 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.426 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.42 141.75 16.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.039 -1.038 . . . . 0.0 110.808 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 13' ' ' PHE . 93.4 mt -64.38 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -51.85 -22.35 3.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.579 -0.701 . . . . 0.0 110.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.83 -38.21 79.67 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.201 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 43.6 pt -114.63 19.09 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.59 -0.694 . . . . 0.0 112.34 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.97 -30.37 69.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.927 -1.108 . . . . 0.0 110.555 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.65 -6.41 21.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.514 -0.741 . . . . 0.0 111.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 3.0 m-85 -58.74 144.37 43.94 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.116 -0.99 . . . . 0.0 110.712 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -104.49 176.02 5.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 110.192 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 64.0 mtt -60.65 -42.66 97.43 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.502 -0.749 . . . . 0.0 111.184 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -69.96 -39.44 76.0 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.52 -0.737 . . . . 0.0 110.968 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.66 -39.18 90.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.799 -0.563 . . . . 0.0 110.919 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 55' ' ' ARG . 17.3 tp -61.44 -17.39 54.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.589 -0.694 . . . . 0.0 111.401 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.23 72.33 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.192 -0.942 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -50.26 -28.43 7.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.326 -0.859 . . . . 0.0 110.985 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD23 HD11 ' A' ' 50' ' ' ILE . 3.2 tp -73.59 1.78 9.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.413 -0.804 . . . . 0.0 111.951 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 31.3 mtmt 79.02 4.62 2.34 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 123.452 0.701 . . . . 0.0 112.465 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.7 HD11 ' CE1' ' A' ' 26' ' ' PHE . 74.4 mt -77.5 143.39 68.19 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.051 -1.03 . . . . 0.0 110.098 178.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.54 165.78 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.755 1.397 . . . . 0.0 109.028 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.2 mt-10 -68.92 -20.44 64.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.139 -0.976 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.37 -36.32 79.89 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 122.207 1.004 . . . . 0.0 110.111 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.52 -4.29 27.01 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.869 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.634 ' HG2' HD23 ' A' ' 45' ' ' LEU . 4.1 mtt180 -71.31 -41.74 69.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.949 -1.094 . . . . 0.0 110.337 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -83.37 -28.92 28.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.857 . . . . 0.0 110.308 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.668 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.51 -47.91 68.6 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -75.59 -41.03 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.466 -0.771 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -59.89 -34.83 73.7 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.709 -0.619 . . . . 0.0 111.06 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.76 -40.03 86.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.423 -0.798 . . . . 0.0 110.606 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.0 -30.8 69.75 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.6 mm -60.6 -45.62 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.581 -0.952 . . . . 0.0 110.918 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.48 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.425 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 71.6 m-20 -56.63 -38.02 71.53 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.359 -0.838 . . . . 0.0 111.286 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.94 -40.06 87.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.345 -0.847 . . . . 0.0 110.541 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.0 -44.79 94.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.414 -0.804 . . . . 0.0 110.784 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' OE1' HD11 ' A' ' 63' ' ' LEU . 37.0 mt-30 -59.95 -37.32 79.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.555 -0.716 . . . . 0.0 111.087 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 O-C-N 121.536 -0.728 . . . . 0.0 111.205 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.287 0.565 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p -55.75 175.48 0.08 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.796 0.808 . . . . 0.0 111.645 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.2 mt -67.64 -38.29 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.968 -0.458 . . . . 0.0 111.362 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG22 HD21 ' A' ' 23' ' ' LEU . 95.0 t -50.83 -50.46 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.107 -0.996 . . . . 0.0 111.134 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.244 -0.91 . . . . 0.0 111.378 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.98 -50.03 75.34 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.334 -0.854 . . . . 0.0 111.241 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.63 -39.96 90.17 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.526 -0.734 . . . . 0.0 110.491 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.54 85.41 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.535 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.01 -27.67 67.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.68 . . . . 0.0 110.538 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -95.66 12.87 28.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.406 -0.809 . . . . 0.0 109.994 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.12 29.03 73.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.7 m -123.35 148.29 46.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.483 -1.01 . . . . 0.0 110.505 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.03 31.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.533 -0.73 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -116.73 -19.65 9.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.39 -0.819 . . . . 0.0 111.164 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -96.7 1.31 50.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HG22 ' A' ' 11' ' ' VAL . 33.8 tp -59.92 -40.22 88.14 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.253 -0.904 . . . . 0.0 111.062 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -54.56 -36.24 64.12 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.359 -0.838 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -63.83 -42.11 97.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.142 -0.974 . . . . 0.0 111.199 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -65.74 -42.76 90.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.242 -0.911 . . . . 0.0 109.956 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 p -64.64 -39.96 94.61 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.471 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -66.78 -18.85 65.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.652 -0.655 . . . . 0.0 111.221 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -100.99 -8.27 22.54 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 112.329 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.67 0.37 56.55 Favored Glycine 0 N--CA 1.501 3.009 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.825 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.686 HD23 ' CD ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -96.25 111.47 23.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.316 -1.108 . . . . 0.0 109.433 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 10' ' ' ILE . 68.6 p -131.38 21.27 4.77 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.538 -0.726 . . . . 0.0 112.481 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 82.2 p -139.95 150.66 44.78 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.723 -1.235 . . . . 0.0 110.595 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.6 -25.08 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.423 -0.798 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -69.92 -39.29 76.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 112.163 -178.174 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.686 ' CD ' HD23 ' A' ' 31' ' ' LEU . 7.9 pt20 -67.75 -23.74 65.27 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.049 -1.032 . . . . 0.0 110.688 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.2 pt -88.08 11.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 83.9 mt-10 -59.94 -37.37 79.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.266 -0.896 . . . . 0.0 112.031 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -104.5 -12.61 16.4 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.142 -0.974 . . . . 0.0 111.78 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -59.98 140.47 56.72 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -0.967 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 m -107.34 175.87 5.35 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 56' ' ' HIS . 92.8 mtp -60.17 -43.85 95.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.554 -0.716 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.53 -0.731 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -66.18 -33.01 74.8 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.489 0.661 . . . . 0.0 109.799 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 55' ' ' ARG . 29.9 tp -66.81 -30.84 71.13 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.803 -0.561 . . . . 0.0 111.616 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.27 72.05 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.126 -0.984 . . . . 0.0 110.311 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -50.24 -25.65 3.9 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.398 -0.814 . . . . 0.0 110.551 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -74.09 4.51 5.43 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.571 -0.706 . . . . 0.0 111.898 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 39.2 mtmt 74.96 9.7 3.94 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.822 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 48' ' ' LEU . 86.3 mt -78.61 141.56 60.59 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 120.991 -1.068 . . . . 0.0 109.775 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.14 170.18 18.82 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.738 1.388 . . . . 0.0 109.2 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.95 -28.67 65.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.058 -1.026 . . . . 0.0 110.216 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.96 -27.28 66.69 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.722 -0.611 . . . . 0.0 110.244 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -102.5 -9.56 20.1 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.517 -0.739 . . . . 0.0 111.075 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.632 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.8 mtm105 -70.03 -46.76 64.38 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.977 -1.077 . . . . 0.0 110.712 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB3' ' HE1' ' A' ' 42' ' ' MET . 29.5 p80 -81.53 -26.64 34.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.408 -0.807 . . . . 0.0 110.806 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -44.01 70.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.458 -0.776 . . . . 0.0 109.878 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.43 -42.03 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.493 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.0 t90 -60.01 -38.0 81.37 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.573 -0.704 . . . . 0.0 110.768 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.02 -40.12 88.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.538 -0.726 . . . . 0.0 110.851 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.69 69.59 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.8 mt -67.08 -40.06 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.46 -1.024 . . . . 0.0 110.997 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.0 -48.12 83.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.336 -0.852 . . . . 0.0 110.766 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.92 -39.56 85.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.477 -0.764 . . . . 0.0 110.675 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.55 -0.719 . . . . 0.0 110.401 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.56 -40.01 80.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.338 -0.851 . . . . 0.0 110.757 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.92 -40.36 96.28 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.307 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 34' ' ' ILE . 14.5 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.548 0.213 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -61.78 -165.15 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.199 -0.938 . . . . 0.0 110.588 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 26' ' ' PHE . 92.8 mt -69.94 -38.47 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.609 -0.682 . . . . 0.0 111.748 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 23' ' ' LEU . 65.8 t -54.43 -56.87 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.074 -1.016 . . . . 0.0 111.217 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -60.02 -40.05 87.93 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.213 -0.929 . . . . 0.0 111.32 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.808 ' HB2' HD11 ' A' ' 34' ' ' ILE . 79.8 t80 -59.95 -43.36 95.07 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.474 -0.766 . . . . 0.0 111.428 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.93 -39.99 87.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.356 -0.84 . . . . 0.0 110.64 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.2 90.2 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.562 -0.711 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -60.42 -27.93 67.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.812 -0.555 . . . . 0.0 110.568 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 27.0 tp -99.67 13.97 31.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.479 -0.763 . . . . 0.0 110.709 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.38 29.46 73.1 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.84 148.13 42.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.607 -0.937 . . . . 0.0 109.688 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 p -171.18 -35.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.411 -0.805 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.7 p -60.26 -21.66 62.14 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.475 -0.765 . . . . 0.0 110.967 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.76 0.0 57.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.249 -0.907 . . . . 0.0 110.848 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 11' ' ' VAL . 62.7 tp -60.02 -40.58 89.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.369 -0.832 . . . . 0.0 110.952 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.37 -37.39 67.46 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.34 -0.85 . . . . 0.0 112.104 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.54 -41.59 97.57 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.03 -1.044 . . . . 0.0 110.213 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD1' HD13 ' A' ' 10' ' ' ILE . 59.6 m-85 -65.18 -39.91 93.56 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.388 -0.82 . . . . 0.0 110.303 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -68.95 -39.94 79.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.679 -0.638 . . . . 0.0 110.281 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.7 m -65.38 -20.49 66.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 111.301 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -99.55 -4.7 30.57 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.192 -0.943 . . . . 0.0 112.638 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.43 73.63 Favored Glycine 0 N--CA 1.499 2.856 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.268 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.62 119.34 38.62 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -1.09 . . . . 0.0 109.433 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.448 ' CA ' HD12 ' A' ' 10' ' ' ILE . 1.8 p -125.37 -26.79 3.55 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.95 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.17 159.86 16.01 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.809 -1.182 . . . . 0.0 111.823 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 13' ' ' PHE . 98.2 mt -69.87 -31.59 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.843 -0.536 . . . . 0.0 110.402 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 37.4 m-85 -58.27 -26.79 63.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.428 -0.795 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -70.04 -34.28 73.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 109.249 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.6 pt -100.03 9.97 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.723 -0.61 . . . . 0.0 112.079 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.97 -35.44 74.98 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.957 -1.09 . . . . 0.0 110.48 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -94.45 -21.56 18.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.431 -0.793 . . . . 0.0 110.421 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 7.8 m-85 -60.83 134.08 56.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.06 -171.24 2.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.5 mtp -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.401 0.619 . . . . 0.0 109.739 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.1 -39.92 86.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.666 -0.646 . . . . 0.0 110.516 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.2 m-20 -64.34 -34.8 78.99 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.815 -0.553 . . . . 0.0 110.719 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 55' ' ' ARG . 60.2 tp -69.8 -26.46 64.27 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.576 -0.702 . . . . 0.0 110.997 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.18 84.48 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.236 -0.915 . . . . 0.0 110.013 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -54.35 -22.55 12.5 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.375 -0.828 . . . . 0.0 110.475 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.3 2.96 5.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.484 -0.76 . . . . 0.0 111.912 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 59.3 mttm 75.2 6.96 4.17 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 121.508 -0.745 . . . . 0.0 112.003 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 45' ' ' LEU . 79.1 mt -78.45 144.75 66.45 Favored Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 0.0 109.169 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.43 172.29 13.57 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 O-C-N 123.737 1.388 . . . . 0.0 109.241 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.01 -31.95 69.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.035 -1.04 . . . . 0.0 110.792 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -59.88 -22.83 62.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.588 -0.695 . . . . 0.0 110.22 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.52 -10.27 19.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 110.893 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 45' ' ' LEU . 13.9 mtm180 -71.12 -45.41 63.67 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.935 -1.103 . . . . 0.0 110.492 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.8 -28.91 40.18 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.534 -0.729 . . . . 0.0 110.851 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.57 71.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.557 -0.714 . . . . 0.0 110.372 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.55 -44.03 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.62 -0.675 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 1.9 t90 -60.04 -39.67 86.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.656 -0.653 . . . . 0.0 110.739 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.686 -0.634 . . . . 0.0 111.111 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.39 -29.81 74.58 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.6 mt -63.26 -37.77 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.549 -0.971 . . . . 0.0 110.415 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.99 -46.87 88.06 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.356 -0.84 . . . . 0.0 110.082 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.562 -0.712 . . . . 0.0 110.423 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -60.0 -41.79 92.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.371 -0.831 . . . . 0.0 110.113 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.83 -38.4 90.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.776 -0.578 . . . . 0.0 110.787 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -35.76 75.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.495 -0.753 . . . . 0.0 111.288 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.503 -0.748 . . . . 0.0 110.704 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' THR . 46.4 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.956 0.408 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 1.8 p -163.38 158.12 20.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 108.955 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 99.0 mt -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.286 -0.884 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 23' ' ' LEU . 81.2 t -56.38 -45.79 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.487 -0.758 . . . . 0.0 110.484 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -60.21 -43.66 95.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.443 -0.785 . . . . 0.0 111.549 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.471 -0.768 . . . . 0.0 111.331 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.83 -40.1 94.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.539 -0.726 . . . . 0.0 110.671 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.8 93.93 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.374 -0.829 . . . . 0.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -60.63 -27.78 68.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.653 -0.655 . . . . 0.0 110.244 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 tp -96.07 11.13 35.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.444 -0.785 . . . . 0.0 109.998 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.95 30.1 72.36 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -125.12 146.31 49.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.598 -0.942 . . . . 0.0 111.097 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.15 28.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.233 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -111.15 -18.82 12.9 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.476 -0.765 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.01 4.27 54.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.303 -0.873 . . . . 0.0 111.242 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 11' ' ' VAL . 65.9 tp -58.98 -41.08 86.71 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.993 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -55.28 -37.59 67.49 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.157 -0.964 . . . . 0.0 112.829 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -65.12 -40.59 94.68 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.014 -1.054 . . . . 0.0 111.499 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 83.5 m-85 -69.97 -40.06 75.62 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.326 -0.859 . . . . 0.0 110.465 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -64.82 -45.34 86.6 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.572 -0.705 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.08 -14.14 61.23 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.494 -0.754 . . . . 0.0 111.414 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -101.11 -10.24 20.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.042 -1.036 . . . . 0.0 112.344 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.37 3.64 56.45 Favored Glycine 0 N--CA 1.499 2.873 0 C-N-CA 119.964 -1.112 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 36' ' ' GLN . 4.2 mp -100.35 114.25 27.61 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.223 -1.163 . . . . 0.0 109.317 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -114.94 -20.35 10.57 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 119.602 -0.839 . . . . 0.0 112.151 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -111.52 159.74 17.82 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.994 -1.066 . . . . 0.0 112.138 -178.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.1 -30.96 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.224 0.535 . . . . 0.0 110.146 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.433 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 30.8 m-85 -58.12 -25.07 60.93 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.717 -0.614 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.6 mm100 -69.98 -30.64 68.03 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 62' ' ' ILE . 30.6 pt -103.01 5.41 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.638 -0.664 . . . . 0.0 112.233 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 41.7 mm-40 -60.34 -34.46 73.88 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.904 -1.123 . . . . 0.0 111.182 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -91.81 -24.89 19.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.385 -0.822 . . . . 0.0 111.091 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 19.7 m-85 -59.8 136.25 57.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.584 -0.698 . . . . 0.0 110.777 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 m -98.25 -174.34 2.82 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.412 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 96.2 mtp -62.72 -39.96 95.69 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.364 -0.835 . . . . 0.0 110.86 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -68.8 -40.04 79.79 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 87.5 m-20 -62.72 -36.96 84.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.913 -0.492 . . . . 0.0 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 55' ' ' ARG . 23.3 tp -64.44 -35.01 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.527 -0.733 . . . . 0.0 110.756 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -53.56 -47.04 70.43 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.9 p -50.36 -27.34 6.12 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.459 -0.776 . . . . 0.0 110.845 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -76.86 14.69 0.79 Allowed 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.298 -0.876 . . . . 0.0 112.648 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 94.1 mttt 78.84 0.02 2.44 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 124.081 0.952 . . . . 0.0 112.183 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 mt -78.4 140.77 60.64 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.122 . . . . 0.0 109.242 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.65 173.32 14.1 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.659 1.347 . . . . 0.0 109.101 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -70.03 -22.43 63.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.041 -1.037 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.424 -0.797 . . . . 0.0 110.105 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -99.63 0.04 41.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 110.396 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.666 ' HD2' ' HB2' ' A' ' 46' ' ' ALA . 12.3 mtp180 -74.99 -40.48 60.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.87 -1.144 . . . . 0.0 110.163 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -82.76 -31.86 28.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.493 -0.754 . . . . 0.0 110.305 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -45.55 67.96 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.12 -47.41 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.753 -0.592 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.1 t90 -59.97 -38.21 81.86 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.494 -0.754 . . . . 0.0 111.512 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.11 -40.09 88.46 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.38 -0.825 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.76 69.85 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 37' ' ' ILE . 88.8 mt -67.28 -39.21 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.528 -0.984 . . . . 0.0 110.672 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.87 -48.94 79.67 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.39 -0.819 . . . . 0.0 110.574 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -60.41 -40.82 92.34 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.336 -0.852 . . . . 0.0 110.495 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -62.45 -34.76 77.44 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 110.651 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -59.88 -36.18 76.39 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.685 -0.634 . . . . 0.0 111.337 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' C ' HD12 ' A' ' 68' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.264 -0.897 . . . . 0.0 110.367 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.124 0.487 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -58.17 171.47 0.55 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.492 -0.755 . . . . 0.0 110.965 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.0 mt -66.95 -36.79 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.88 -0.513 . . . . 0.0 111.383 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG22 HD21 ' A' ' 23' ' ' LEU . 65.1 t -50.06 -54.95 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.124 -0.985 . . . . 0.0 111.749 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -60.04 -40.03 87.95 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 111.611 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.97 -48.55 81.24 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.289 -0.882 . . . . 0.0 111.489 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 23' ' ' LEU . 91.6 mt -60.16 -39.88 87.96 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.339 -0.851 . . . . 0.0 110.45 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.76 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.546 -0.721 . . . . 0.0 109.791 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -60.07 -30.47 69.25 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.732 -0.605 . . . . 0.0 110.038 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 57' ' ' ALA . 14.3 tp -93.8 15.17 17.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.607 -0.683 . . . . 0.0 109.906 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.5 27.92 72.45 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.17 144.9 50.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -1.025 . . . . 0.0 110.656 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.73 32.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.6 -0.688 . . . . 0.0 109.48 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -109.82 -25.22 10.45 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.602 -0.687 . . . . 0.0 110.919 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -95.5 1.55 54.01 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.455 -0.778 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 HD12 ' A' ' 14' ' ' LEU . 41.1 tp -59.94 -40.33 88.57 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.314 -0.866 . . . . 0.0 110.64 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -51.43 -34.52 35.33 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.835 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -68.05 -39.96 82.91 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.174 -0.954 . . . . 0.0 111.084 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' A' ' 50' ' ' ILE . 78.1 m-85 -66.45 -44.43 82.85 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.217 -0.927 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 28' ' ' THR . 9.1 t -68.71 -39.99 80.21 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.719 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.405 ' N ' HG23 ' A' ' 27' ' ' THR . 63.4 m -66.16 -19.66 65.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.581 -0.7 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -99.85 -5.12 29.02 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.223 -0.923 . . . . 0.0 111.98 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.63 -4.95 64.17 Favored Glycine 0 N--CA 1.5 2.917 0 O-C-N 120.982 -1.074 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 5.5 mp -91.52 111.31 22.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -1.158 . . . . 0.0 109.468 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 45.0 p -132.3 29.43 4.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.663 -0.648 . . . . 0.0 111.013 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 p -148.5 151.46 35.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.203 -0.936 . . . . 0.0 110.408 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.486 -0.758 . . . . 0.0 109.782 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -53.34 -25.39 14.98 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.552 -0.718 . . . . 0.0 110.712 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.03 -33.82 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.611 -0.681 . . . . 0.0 109.883 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 pt -102.08 5.89 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.495 -0.753 . . . . 0.0 112.417 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.01 -37.77 80.7 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.882 -1.136 . . . . 0.0 111.345 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -95.58 -21.15 18.43 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.277 -0.889 . . . . 0.0 111.26 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -61.64 140.02 58.21 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.391 -0.818 . . . . 0.0 110.464 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -99.86 -175.68 3.03 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 109.619 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.7 mtp -61.58 -41.37 97.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.654 -0.654 . . . . 0.0 110.738 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.14 -40.0 82.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.345 -0.847 . . . . 0.0 110.701 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.67 -37.49 84.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.743 -0.598 . . . . 0.0 110.804 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' A' ' 55' ' ' ARG . 33.6 tp -65.47 -23.28 66.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.551 -0.718 . . . . 0.0 111.002 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.26 83.91 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.113 -0.992 . . . . 0.0 110.346 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.0 p -51.52 -23.08 3.68 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.373 -0.829 . . . . 0.0 111.023 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD23 HD11 ' A' ' 50' ' ' ILE . 15.1 tp -74.88 8.88 2.17 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.199 -0.938 . . . . 0.0 112.301 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mtpt 78.32 -0.16 2.59 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 123.624 0.77 . . . . 0.0 112.14 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 48' ' ' LEU . 86.4 mt -76.94 134.35 68.43 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.022 -1.049 . . . . 0.0 109.571 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.43 169.65 16.64 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 O-C-N 123.61 1.321 . . . . 0.0 109.555 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 86.4 tt0 -67.08 -21.89 65.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.262 -0.899 . . . . 0.0 111.164 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.99 -35.5 75.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.408 -0.808 . . . . 0.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -101.0 -2.58 31.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.405 -0.809 . . . . 0.0 111.287 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' A' ' 45' ' ' LEU . 21.3 mtm180 -70.0 -43.67 70.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.928 -1.107 . . . . 0.0 109.536 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -81.85 -23.26 36.5 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -70.07 -47.36 62.26 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.365 -0.834 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.34 -39.93 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.772 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.541 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.3 t90 -60.69 -40.05 90.77 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 111.219 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.467 -0.771 . . . . 0.0 110.377 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.28 69.61 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.9 mt -64.43 -40.17 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.167 -1.196 . . . . 0.0 111.456 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.05 -51.32 70.15 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.958 -1.089 . . . . 0.0 110.802 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -60.02 -39.17 84.93 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.509 -0.745 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 86.3 t60 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.716 -0.615 . . . . 0.0 110.382 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -69.88 -37.21 75.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.464 -0.773 . . . . 0.0 112.039 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.68 -39.64 85.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.601 -0.687 . . . . 0.0 111.87 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp . . . . . 0 N--CA 1.499 2.008 0 O-C-N 121.108 -0.995 . . . . 0.0 110.511 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.8 t . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 24.5 p -59.39 170.13 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.849 0.833 . . . . 0.0 111.725 -177.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.1 mt -68.84 -35.88 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.201 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 23' ' ' LEU . 64.1 t -50.08 -56.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 121.198 -0.939 . . . . 0.0 111.575 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.423 -0.798 . . . . 0.0 111.679 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.94 -48.72 80.55 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.358 -0.839 . . . . 0.0 111.678 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.96 -37.54 79.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.85 91.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.391 -0.818 . . . . 0.0 109.714 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.5 -23.74 64.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.579 -0.701 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 57' ' ' ALA . 16.0 tp -102.59 14.65 31.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.77 28.94 74.1 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -119.23 147.07 44.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.565 -0.962 . . . . 0.0 109.704 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 -36.8 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.366 -0.833 . . . . 0.0 110.087 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.0 m -52.32 -23.96 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.576 -0.703 . . . . 0.0 111.783 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.29 0.07 56.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.152 -0.967 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD11 HG22 ' A' ' 11' ' ' VAL . 41.1 tp -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.232 -0.917 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.05 -34.61 30.54 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.447 -0.783 . . . . 0.0 111.84 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -68.19 -39.9 82.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.123 -0.986 . . . . 0.0 111.066 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -66.2 -41.27 90.4 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.188 -0.945 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -65.04 -40.02 94.2 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -66.36 -18.3 65.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.757 -0.589 . . . . 0.0 111.263 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.15 -11.64 19.41 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.114 -0.991 . . . . 0.0 112.068 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.01 10.72 59.53 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -104.29 118.22 36.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.4 p -125.5 -25.57 3.71 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.928 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 34.9 p -98.9 146.82 25.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.977 -1.077 . . . . 0.0 111.676 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 8' ' ' CYS . 96.5 mt -62.04 -39.96 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.767 -0.583 . . . . 0.0 109.711 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -51.43 -24.91 5.46 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.521 -0.737 . . . . 0.0 111.014 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.586 ' HB3' HD23 ' A' ' 31' ' ' LEU . 6.9 mm100 -69.02 -38.97 79.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.437 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 39.5 pt -100.81 5.56 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.664 -0.648 . . . . 0.0 112.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 -32.74 71.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.957 -1.089 . . . . 0.0 110.474 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.9 -23.69 18.0 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.525 -0.735 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 22.7 m-85 -58.76 143.03 48.42 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 m -99.26 176.05 5.67 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.05 -42.9 95.44 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.17 -39.97 92.12 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.58 -32.77 74.32 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.778 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.792 HD23 ' HG2' ' A' ' 55' ' ' ARG . 47.0 tp -67.04 -39.95 87.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.776 -0.578 . . . . 0.0 110.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -55.94 -49.5 73.32 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -51.1 -24.3 3.89 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.274 -0.891 . . . . 0.0 110.823 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 2.5 tp -76.97 13.79 0.99 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.348 -0.845 . . . . 0.0 112.183 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 88.4 mttt 79.55 -0.91 2.2 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 124.201 1.0 . . . . 0.0 111.848 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 45' ' ' LEU . 53.3 mt -78.21 132.62 66.15 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.015 -1.053 . . . . 0.0 109.478 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.52 153.56 76.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 O-C-N 123.752 1.396 . . . . 0.0 109.538 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 20.5 pt-20 -66.34 -15.27 63.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.064 -1.022 . . . . 0.0 111.557 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -60.12 -37.22 79.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.147 -0.971 . . . . 0.0 109.712 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.95 3.15 44.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 110.52 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.792 ' HG2' HD23 ' A' ' 45' ' ' LEU . 16.6 mtp180 -70.59 -48.11 56.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.981 -1.074 . . . . 0.0 110.068 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -81.68 -29.13 33.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 109.975 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.611 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.83 -47.41 78.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.767 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.85 -40.26 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.601 -0.687 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.717 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.9 t90 -60.0 -36.07 76.4 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.389 -0.819 . . . . 0.0 110.92 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.89 -40.13 87.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.453 -0.779 . . . . 0.0 110.877 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.2 76.55 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 59' ' ' TRP . 88.6 mt -65.45 -37.41 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.546 -0.973 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -49.44 77.66 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.281 -0.887 . . . . 0.0 110.05 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -59.92 -37.66 80.13 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 110.114 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.462 ' HA ' HD21 ' A' ' 68' ' ' LEU . 80.3 t60 -60.04 -39.91 87.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.606 -0.684 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -71.57 -39.95 70.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.488 -0.758 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.675 -0.641 . . . . 0.0 112.084 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.5 pp . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.042 -1.036 . . . . 0.0 110.18 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.877 0.37 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 80.6 p -61.0 170.04 1.73 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.118 -0.989 . . . . 0.0 111.809 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 26' ' ' PHE . 86.6 mt -70.09 -21.68 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.755 -0.591 . . . . 0.0 110.654 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 23' ' ' LEU . 91.0 t -63.33 -56.01 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.815 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 110.98 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' A' ' 58' ' ' ILE . 87.8 t80 -59.96 -48.24 82.52 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.409 -0.807 . . . . 0.0 110.686 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.92 -40.11 87.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.499 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.5 96.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.01 -30.82 69.4 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.896 -0.502 . . . . 0.0 110.025 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 17' ' ' LEU . 19.3 tp -92.27 15.4 13.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.659 -0.651 . . . . 0.0 110.043 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.92 26.62 69.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.3 m -124.84 134.8 52.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.55 -0.97 . . . . 0.0 110.775 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -151.87 21.7 0.69 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.506 -0.746 . . . . 0.0 110.195 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -100.04 -19.43 16.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.337 -0.852 . . . . 0.0 111.103 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -97.09 1.84 50.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.308 -0.87 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 11' ' ' VAL . 61.7 tp -58.81 -41.09 85.97 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.265 -0.897 . . . . 0.0 110.384 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.19 -36.96 61.52 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.418 -0.801 . . . . 0.0 111.814 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 87.8 m-85 -64.25 -43.17 95.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.069 -1.019 . . . . 0.0 111.484 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD1' HD13 ' A' ' 10' ' ' ILE . 75.4 m-85 -69.83 -41.11 75.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.082 -1.011 . . . . 0.0 111.571 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 28' ' ' THR . 9.0 t -69.75 -39.96 76.42 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.015 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 27' ' ' THR . 86.3 m -65.85 -20.9 66.4 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.636 -0.665 . . . . 0.0 110.697 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -98.62 -7.29 28.29 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.217 -0.927 . . . . 0.0 112.048 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.28 -2.02 67.78 Favored Glycine 0 N--CA 1.5 2.905 0 C-N-CA 120.01 -1.09 . . . . 0.0 110.49 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -89.55 112.39 23.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.406 -1.055 . . . . 0.0 108.816 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 33' ' ' THR . 76.3 p -127.58 30.48 5.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.633 -0.667 . . . . 0.0 111.816 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -158.87 148.17 18.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 110.882 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.96 -38.71 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -52.31 -22.88 4.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.617 -0.677 . . . . 0.0 110.83 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.88 -34.63 73.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.492 -0.755 . . . . 0.0 109.226 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.96 16.73 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.66 -0.65 . . . . 0.0 112.276 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.97 -34.95 73.98 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -100.21 -14.63 18.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.447 -0.783 . . . . 0.0 110.828 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.2 144.22 50.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.278 -0.889 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -102.97 177.45 4.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 109.954 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.02 -40.95 91.07 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.505 -0.747 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -67.31 -40.0 85.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.498 -0.751 . . . . 0.0 110.419 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.5 -37.51 87.79 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.338 0.59 . . . . 0.0 110.704 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.698 HD23 ' HG2' ' A' ' 55' ' ' ARG . 39.5 tp -66.59 -26.51 67.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.593 -0.692 . . . . 0.0 111.003 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.92 70.6 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.271 -0.893 . . . . 0.0 110.165 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.2 p -52.33 -24.65 7.92 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.316 -0.865 . . . . 0.0 110.473 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 50' ' ' ILE . 6.0 tp -74.4 3.8 6.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.521 -0.737 . . . . 0.0 111.657 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 7.6 mtmt 80.01 5.61 1.84 Allowed 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 123.449 0.7 . . . . 0.0 111.769 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.548 ' CD1' HD11 ' A' ' 45' ' ' LEU . 67.4 mt -77.53 144.23 69.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.991 -1.068 . . . . 0.0 109.883 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -79.96 160.43 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 O-C-N 123.641 1.337 . . . . 0.0 109.227 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 86.4 tt0 -63.08 -28.65 70.23 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.099 -1.0 . . . . 0.0 110.272 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -59.95 -31.42 69.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.625 -0.672 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.63 -14.56 18.1 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.731 -0.606 . . . . 0.0 110.998 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.698 ' HG2' HD23 ' A' ' 45' ' ' LEU . 26.7 mtm180 -68.67 -44.1 74.77 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 17.7 p80 -81.04 -26.41 36.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.275 -0.89 . . . . 0.0 110.965 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.98 70.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.359 -0.838 . . . . 0.0 109.827 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' HE2' ' A' ' 13' ' ' PHE . 86.2 mt -72.19 -41.64 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.609 -0.682 . . . . 0.0 110.297 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.816 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.6 t90 -60.02 -38.73 83.56 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.555 -0.715 . . . . 0.0 111.061 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 0.0 110.7 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.45 -31.29 73.77 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.9 mt -64.41 -38.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.937 . . . . 0.0 110.639 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.09 -48.62 80.97 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.308 -0.87 . . . . 0.0 110.451 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -59.95 -40.01 87.52 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.458 -0.776 . . . . 0.0 110.628 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HA ' HD23 ' A' ' 68' ' ' LEU . 85.7 t60 -60.03 -44.57 94.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.498 -0.751 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -62.16 -40.05 94.72 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.43 -39.98 89.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.816 -0.553 . . . . 0.0 112.023 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 65' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.212 -0.93 . . . . 0.0 110.747 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.446 0.641 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -61.91 -169.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.751 -0.593 . . . . 0.0 111.001 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.03 -23.28 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.619 -0.675 . . . . 0.0 110.994 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -63.95 -57.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.256 -0.903 . . . . 0.0 109.312 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 m -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.712 -0.618 . . . . 0.0 111.339 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -59.33 -48.79 80.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 111.238 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.34 -40.01 93.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 110.56 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.26 86.55 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.427 -0.796 . . . . 0.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -59.97 -29.47 68.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.712 -0.618 . . . . 0.0 110.326 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 57' ' ' ALA . 15.8 tp -94.91 15.28 19.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.484 -0.76 . . . . 0.0 110.342 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.89 73.53 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.5 m -120.92 141.15 50.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.489 -1.007 . . . . 0.0 110.503 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.29 34.33 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.465 -0.772 . . . . 0.0 109.313 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.07 -25.79 7.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.534 -0.729 . . . . 0.0 110.884 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.3 m -95.92 6.58 48.53 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.372 -0.83 . . . . 0.0 111.481 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.43 -39.99 81.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.243 -0.911 . . . . 0.0 109.943 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.92 -39.53 74.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.51 -0.744 . . . . 0.0 112.404 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -62.08 -42.62 99.39 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.878 -1.139 . . . . 0.0 111.013 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.15 -40.0 93.78 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -67.99 -39.96 83.17 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.246 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -65.3 -20.08 66.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.688 . . . . 0.0 111.336 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -100.91 -7.99 22.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.113 -0.992 . . . . 0.0 112.25 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.45 57.49 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.985 -1.072 . . . . 0.0 110.844 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.18 112.02 23.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.257 -1.143 . . . . 0.0 109.755 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -129.66 25.98 5.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.521 -0.737 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -149.58 147.52 28.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.144 -0.972 . . . . 0.0 110.315 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.2 -27.78 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 110.257 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 27.8 m-85 -59.98 -28.6 67.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.54 -0.725 . . . . 0.0 110.318 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 9.1 mm100 -69.98 -31.28 68.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.553 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 62' ' ' ILE . 29.4 pt -101.84 11.23 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.293 -0.879 . . . . 0.0 112.35 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 78.1 mt-10 -59.96 -38.73 83.32 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.908 -1.12 . . . . 0.0 112.125 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -101.77 -8.76 21.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.022 -1.049 . . . . 0.0 111.513 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 14.2 m-85 -60.7 137.96 58.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.218 -0.926 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -100.71 176.17 5.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.636 . . . . 0.0 109.549 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.17 -39.98 88.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.426 -0.796 . . . . 0.0 110.417 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -69.08 -39.97 78.74 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.519 -0.738 . . . . 0.0 110.656 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.91 -38.3 90.42 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.77 -0.581 . . . . 0.0 111.123 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.616 ' HG ' HD12 ' A' ' 50' ' ' ILE . 35.2 tp -65.08 -22.78 67.01 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.521 -0.737 . . . . 0.0 110.749 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.44 -47.26 76.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.232 -0.917 . . . . 0.0 110.067 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -51.48 -25.51 6.62 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.4 -0.812 . . . . 0.0 110.205 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.06 1.95 8.02 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.636 -0.665 . . . . 0.0 111.821 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 36.4 mtmt 79.56 5.93 2.0 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.501 0.72 . . . . 0.0 112.018 179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.616 HD12 ' HG ' ' A' ' 45' ' ' LEU . 84.2 mt -77.53 134.26 66.17 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.107 -0.995 . . . . 0.0 110.053 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.71 166.79 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 N-CA-C 108.621 -1.338 . . . . 0.0 108.621 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.6 mt-10 -66.21 -27.79 68.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.991 -1.068 . . . . 0.0 110.778 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -30.43 69.43 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.543 -0.723 . . . . 0.0 110.141 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.54 -17.54 17.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.4 mtm180 -65.78 -40.01 91.55 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.116 -0.99 . . . . 0.0 110.947 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 20.0 p80 -81.64 -30.66 32.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.259 -0.901 . . . . 0.0 111.513 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.201 -0.937 . . . . 0.0 110.381 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.36 -44.0 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.7 -0.625 . . . . 0.0 110.98 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.8 t90 -60.1 -40.49 89.83 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.355 -0.841 . . . . 0.0 112.33 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -59.95 -39.58 86.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 111.469 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.82 -29.13 72.63 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.5 mt -68.41 -40.67 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.345 -1.091 . . . . 0.0 111.325 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -48.82 80.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.26 -0.9 . . . . 0.0 110.586 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.633 -0.667 . . . . 0.0 111.021 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.97 -41.4 91.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -60.03 -42.77 95.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.632 -0.668 . . . . 0.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -33.06 71.5 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.72 -0.612 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.304 -1.371 0 O-C-N 121.698 -0.626 . . . . 0.0 110.425 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo . . . . . 0 N--CA 1.488 1.158 0 N-CA-C 110.273 -0.703 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 m -73.89 130.05 39.13 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.58 -0.7 . . . . 0.0 109.74 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.33 153.64 46.5 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.54 -0.725 . . . . 0.0 110.3 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.92 17.4 21.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.532 -0.73 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.4 p -61.28 177.13 0.39 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.321 -0.862 . . . . 0.0 111.243 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.57 -34.32 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.91 -0.493 . . . . 0.0 111.12 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.2 t -51.42 -56.73 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 O-C-N 121.107 -0.996 . . . . 0.0 111.123 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -59.95 -39.37 85.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.423 -0.798 . . . . 0.0 110.938 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.92 -40.83 90.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.509 -0.745 . . . . 0.0 111.476 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.265 -0.897 . . . . 0.0 110.483 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.0 94.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.47 -0.769 . . . . 0.0 109.513 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.0 -32.18 70.62 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.216 0.532 . . . . 0.0 110.265 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.5 tp -92.73 13.97 18.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.555 -0.716 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.51 72.7 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -126.53 144.23 50.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.451 -1.029 . . . . 0.0 111.023 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -161.13 28.23 0.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.577 -0.702 . . . . 0.0 110.098 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -110.76 -19.72 12.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.457 -0.777 . . . . 0.0 111.53 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.2 m -95.07 -0.03 53.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.185 -0.947 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.99 -40.13 88.11 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.225 -0.922 . . . . 0.0 110.683 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -53.6 -38.52 64.05 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.217 -0.927 . . . . 0.0 112.302 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.823 -1.173 . . . . 0.0 110.094 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 50' ' ' ILE . 59.3 m-85 -65.13 -40.0 93.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.404 -0.81 . . . . 0.0 110.774 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -62.08 -48.51 79.89 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.69 -0.631 . . . . 0.0 111.037 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 29' ' ' GLN . 6.4 t -68.83 -9.7 52.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.322 -0.862 . . . . 0.0 111.74 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 28' ' ' THR . 25.5 mm-40 -98.33 -14.14 20.36 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.941 -1.099 . . . . 0.0 111.623 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.98 52.31 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' GLN . 1.3 mp -109.25 116.5 32.01 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.362 -1.081 . . . . 0.0 109.517 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -134.33 29.83 3.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.518 -0.739 . . . . 0.0 111.862 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.3 p -149.5 143.03 25.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.055 -1.028 . . . . 0.0 110.805 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.23 -31.07 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -60.01 -26.28 65.95 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.647 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.0 mm100 -69.96 -26.88 64.32 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.532 -0.73 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.443 HD12 HD11 ' A' ' 62' ' ' ILE . 44.8 pt -109.29 11.53 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.47 -0.768 . . . . 0.0 112.476 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.883 -1.136 . . . . 0.0 112.299 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -8.96 20.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.034 -1.041 . . . . 0.0 112.287 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -60.09 140.09 57.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.158 -0.964 . . . . 0.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 t -100.73 -176.61 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.645 -0.659 . . . . 0.0 109.52 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.5 mtp -64.36 -40.94 96.83 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.78 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.28 -39.92 78.09 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.129 -0.982 . . . . 0.0 111.248 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.83 -33.93 77.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.706 -0.621 . . . . 0.0 110.174 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 55' ' ' ARG . 8.2 tt -65.81 -24.22 66.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.602 -0.686 . . . . 0.0 110.768 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.74 86.7 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.283 -0.886 . . . . 0.0 110.406 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -50.61 -23.45 2.58 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.178 -0.951 . . . . 0.0 110.919 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 50' ' ' ILE . 5.5 tp -73.53 5.66 3.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.427 -0.796 . . . . 0.0 112.456 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 92.0 mttt 76.78 2.03 3.31 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 123.652 0.781 . . . . 0.0 112.095 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 48' ' ' LEU . 94.2 mt -77.28 137.61 64.45 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.952 -1.092 . . . . 0.0 109.651 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 44.4 Cg_endo -57.87 165.48 6.54 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 O-C-N 123.561 1.295 . . . . 0.0 110.323 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 99.2 mt-10 -70.0 -34.89 73.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.021 -1.049 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.01 -20.86 60.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.539 -0.725 . . . . 0.0 110.438 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 51' ' ' PRO . 11.6 m-85 -96.46 -6.91 36.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 110.769 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG2' HD22 ' A' ' 45' ' ' LEU . 63.7 mtm180 -69.97 -40.76 75.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.033 -1.042 . . . . 0.0 109.666 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -76.14 -34.2 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.73 -0.606 . . . . 0.0 110.487 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.91 51.71 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.555 -0.715 . . . . 0.0 111.243 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.78 -45.41 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.396 -0.815 . . . . 0.0 111.05 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.2 t90 -59.95 -39.45 85.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.538 -0.727 . . . . 0.0 111.465 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.0 -40.18 88.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.595 -0.69 . . . . 0.0 111.042 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.18 -30.91 73.97 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.1 mt -66.68 -40.02 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -1.0 . . . . 0.0 110.625 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.99 -48.86 79.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.52 -36.32 73.66 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.666 -0.646 . . . . 0.0 110.711 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.92 -40.67 89.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.39 -0.819 . . . . 0.0 110.053 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.5 -42.24 98.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.723 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.06 -37.81 80.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.504 -0.748 . . . . 0.0 111.481 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -39.93 75.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 111.739 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -119.63 138.71 53.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.387 -0.82 . . . . 0.0 110.818 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -87.99 130.43 34.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.666 -0.646 . . . . 0.0 110.019 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.493 -0.754 . . . . 0.0 110.184 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 N--CA 1.489 1.243 0 N-CA-C 110.444 -0.637 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -119.95 129.98 54.57 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.48 -0.762 . . . . 0.0 110.448 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 51.81 37.07 19.57 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.49 -0.756 . . . . 0.0 111.382 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p -139.55 26.66 2.32 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.616 -0.677 . . . . 0.0 109.794 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 82.9 p -58.77 159.35 6.89 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 122.001 0.905 . . . . 0.0 111.484 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.79 -25.74 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.6 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.752 HG22 HD11 ' A' ' 23' ' ' LEU . 94.4 t -60.06 -51.48 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.273 -0.892 . . . . 0.0 109.907 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -60.95 -40.01 91.68 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.348 -0.845 . . . . 0.0 110.874 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -60.1 -40.96 91.47 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.539 -0.726 . . . . 0.0 111.384 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 HD13 ' A' ' 23' ' ' LEU . 94.7 mt -62.8 -41.65 99.37 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.519 -0.738 . . . . 0.0 110.579 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.62 94.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.511 -0.743 . . . . 0.0 110.017 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.88 -29.48 70.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.68 -0.637 . . . . 0.0 109.58 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 57' ' ' ALA . 29.1 tp -97.38 10.56 39.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.709 -0.62 . . . . 0.0 110.213 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.05 25.68 74.31 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -115.47 158.46 22.52 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.496 -1.003 . . . . 0.0 109.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.369 -0.832 . . . . 0.0 110.718 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -64.79 -20.02 66.14 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.335 -0.853 . . . . 0.0 111.341 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.55 0.39 57.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.198 -0.938 . . . . 0.0 110.994 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD11 HG22 ' A' ' 11' ' ' VAL . 42.2 tp -58.37 -40.08 81.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.336 -0.852 . . . . 0.0 110.997 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.02 -35.92 48.46 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.298 -0.876 . . . . 0.0 111.823 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.24 -40.09 95.31 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.351 -0.843 . . . . 0.0 111.181 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -69.87 -40.05 75.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.339 -0.851 . . . . 0.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p -69.63 -41.54 75.5 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.788 -0.57 . . . . 0.0 111.092 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -67.54 -17.62 64.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.51 -0.744 . . . . 0.0 111.389 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -98.9 -6.82 28.22 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.12 -0.987 . . . . 0.0 112.375 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.68 6.82 63.6 Favored Glycine 0 N--CA 1.499 2.841 0 C-N-CA 120.032 -1.08 . . . . 0.0 110.555 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.98 115.17 29.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.43 -1.041 . . . . 0.0 109.658 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -132.09 23.3 4.52 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.83 -0.748 . . . . 0.0 112.409 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -145.34 153.13 40.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.577 -1.327 . . . . 0.0 110.808 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 tt -70.3 -33.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.606 -0.684 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -60.03 -39.95 87.69 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' THR . 7.3 pt20 -69.92 -19.2 63.4 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.78 -1.2 . . . . 0.0 110.903 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.8 pt -99.67 3.39 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.253 -0.904 . . . . 0.0 111.376 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.938 -1.101 . . . . 0.0 111.21 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.91 -20.88 17.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.777 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 20.6 m-85 -60.6 138.69 58.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -109.11 -168.15 1.3 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.4 -0.812 . . . . 0.0 109.794 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.8 -42.37 97.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.808 . . . . 0.0 110.801 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -62.87 -49.51 74.58 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.576 -0.703 . . . . 0.0 111.331 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.4 m-20 -61.59 -35.61 78.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.871 -0.518 . . . . 0.0 110.703 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 55' ' ' ARG . 28.4 tp -70.01 -27.52 64.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 110.101 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.61 88.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.363 -0.836 . . . . 0.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.5 p -54.62 -20.59 8.38 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.206 -0.934 . . . . 0.0 110.807 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 50' ' ' ILE . 3.1 tp -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.42 -0.8 . . . . 0.0 111.809 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 34.7 mtmt 78.41 7.02 2.42 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 121.583 -0.698 . . . . 0.0 111.482 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.841 HD11 HD23 ' A' ' 48' ' ' LEU . 79.3 mt -78.64 144.02 64.27 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.148 -0.97 . . . . 0.0 109.52 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 50' ' ' ILE . 42.2 Cg_endo -64.22 169.85 10.14 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 O-C-N 123.575 1.302 . . . . 0.0 109.942 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.05 -34.31 73.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.071 -1.018 . . . . 0.0 110.589 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.93 -20.09 55.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.896 -0.503 . . . . 0.0 110.697 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -102.71 -6.67 22.42 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.476 -0.765 . . . . 0.0 111.249 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.851 ' HA ' HD23 ' A' ' 45' ' ' LEU . 63.1 mtm180 -70.01 -40.0 75.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 109.84 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -84.76 -25.04 28.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.666 -0.646 . . . . 0.0 109.935 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.08 -47.43 71.27 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.35 -43.54 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.735 . . . . 0.0 110.522 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.81 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.2 t90 -59.05 -39.12 81.08 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.67 -0.644 . . . . 0.0 111.183 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.03 -41.88 93.17 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.599 -0.688 . . . . 0.0 111.338 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.69 -32.4 74.38 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 59' ' ' TRP . 91.5 mt -65.64 -41.57 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.582 -0.952 . . . . 0.0 110.814 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.247 -0.908 . . . . 0.0 110.682 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.357 -0.84 . . . . 0.0 110.954 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.461 ' CE1' ' CD2' ' A' ' 69' ' ' HIS . 47.2 t-80 -60.06 -43.21 95.56 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.304 -0.872 . . . . 0.0 110.656 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.486 -0.759 . . . . 0.0 110.47 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.04 -37.68 80.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.677 -0.639 . . . . 0.0 111.348 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -29.82 66.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.402 -0.811 . . . . 0.0 111.156 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.461 ' CD2' ' CE1' ' A' ' 65' ' ' HIS . 78.5 m-70 -96.8 115.66 27.81 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -69.98 -40.05 75.59 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.888 0.851 . . . . 0.0 109.479 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 N--CA 1.494 1.748 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.318 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 N--CA 1.488 1.182 0 N-CA-C 110.386 -0.659 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 p -86.83 -5.2 59.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -140.14 159.85 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.154 -0.966 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -104.46 20.0 19.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.669 -0.645 . . . . 0.0 110.308 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 92.3 p -59.17 -164.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 111.28 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.37 -39.92 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.7 -0.625 . . . . 0.0 111.007 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.0 t -59.52 -47.8 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.32 -0.862 . . . . 0.0 110.956 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -59.86 -45.94 90.87 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.189 -0.945 . . . . 0.0 110.988 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.95 -41.44 91.89 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.767 -0.583 . . . . 0.0 111.41 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 23' ' ' LEU . 91.4 mt -62.87 -44.05 97.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 0.0 111.352 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.2 95.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.428 -0.795 . . . . 0.0 110.325 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -61.66 -29.88 70.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.605 -0.684 . . . . 0.0 110.428 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.77 14.1 31.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.628 -0.67 . . . . 0.0 111.323 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.63 72.79 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.47 156.54 20.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.485 -1.009 . . . . 0.0 109.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -177.38 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.41 -0.806 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -69.19 -22.92 63.87 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.615 -0.678 . . . . 0.0 111.247 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.3 m -89.91 0.69 56.92 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.28 -0.887 . . . . 0.0 110.813 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD13 HD12 ' A' ' 14' ' ' LEU . 35.2 tp -60.04 -39.92 87.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.258 -0.901 . . . . 0.0 110.371 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 28' ' ' THR . 58.5 m-20 -50.65 -36.44 35.51 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.286 -0.884 . . . . 0.0 111.585 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -64.36 -39.99 94.97 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.132 -0.98 . . . . 0.0 110.695 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.9 m-85 -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.396 -0.815 . . . . 0.0 111.119 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 6.8 t -69.86 -43.0 72.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.414 -0.804 . . . . 0.0 111.827 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -68.4 -15.3 63.51 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.073 -1.017 . . . . 0.0 111.514 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.8 mm-40 -95.61 -7.59 37.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 112.149 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.0 32.14 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.017 -1.052 . . . . 0.0 110.73 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.4 mp -112.17 116.53 30.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.418 -1.048 . . . . 0.0 110.206 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 33' ' ' THR . 74.3 p -132.57 25.91 4.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.746 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 32' ' ' THR . 14.0 p -152.9 142.54 21.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.008 . . . . 0.0 110.943 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.2 tt -63.95 -31.54 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.51 -0.744 . . . . 0.0 110.486 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.58 -23.38 62.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.576 -0.702 . . . . 0.0 110.526 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -69.9 -32.35 70.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.458 -0.777 . . . . 0.0 110.093 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' ILE . 46.8 pt -106.02 9.11 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.0 112.634 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.78 -40.03 91.04 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.73 -1.231 . . . . 0.0 111.789 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.17 -20.18 19.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.227 -0.921 . . . . 0.0 110.488 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.94 139.95 57.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.206 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -102.43 -172.22 2.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.599 -0.688 . . . . 0.0 109.853 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.4 mtp -62.74 -41.03 99.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.535 -0.728 . . . . 0.0 111.049 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.68 -40.02 84.44 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.263 -0.898 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.87 -36.55 83.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.813 -0.554 . . . . 0.0 110.372 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 55' ' ' ARG . 58.3 tp -69.05 -27.28 65.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.552 -0.717 . . . . 0.0 111.035 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' HB2' ' NH1' ' A' ' 55' ' ' ARG . . . -57.12 -48.08 79.53 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.055 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -52.3 -23.24 5.46 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.345 -0.847 . . . . 0.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -70.38 3.47 2.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.445 -0.785 . . . . 0.0 113.032 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 33.5 tttt 85.19 -4.87 0.9 Allowed 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 118.804 0.729 . . . . 0.0 112.055 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 51' ' ' PRO . 98.3 mt -77.33 143.75 69.57 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 120.935 -1.103 . . . . 0.0 109.912 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 50' ' ' ILE . 45.6 Cg_endo -65.54 169.42 12.78 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 O-C-N 123.818 1.43 . . . . 0.0 108.969 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.72 -24.81 62.71 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.034 -1.041 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.12 -26.45 68.83 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.51 -0.744 . . . . 0.0 111.876 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -100.26 -6.3 26.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.101 -1.0 . . . . 0.0 111.374 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.83 ' HA ' HD23 ' A' ' 45' ' ' LEU . 51.9 mtm180 -70.6 -39.93 73.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.89 -1.131 . . . . 0.0 109.895 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -79.05 -37.31 39.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.841 -0.537 . . . . 0.0 110.92 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.46 79.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.426 -0.797 . . . . 0.0 111.124 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.55 -43.37 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.52 -0.737 . . . . 0.0 110.671 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 22.7 t90 -60.02 -36.56 77.51 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.583 -0.698 . . . . 0.0 110.358 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.687 -0.633 . . . . 0.0 110.624 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.81 73.97 Favored Glycine 0 N--CA 1.496 2.694 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 95.1 mt -66.03 -43.11 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.564 -0.962 . . . . 0.0 110.387 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.04 -49.47 77.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.412 -0.805 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.51 -0.744 . . . . 0.0 111.287 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.88 -47.41 85.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.429 -0.794 . . . . 0.0 110.585 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -60.0 -45.62 92.14 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 0.0 110.925 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -60.39 -38.75 84.95 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.433 -0.792 . . . . 0.0 111.667 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -34.72 73.62 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 110.694 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -93.47 111.37 23.02 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.034 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -102.12 117.12 34.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.648 -0.658 . . . . 0.0 109.884 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.6 t80 . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.501 -0.749 . . . . 0.0 110.23 -179.698 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 N--CA 1.487 1.144 0 N-CA-C 110.348 -0.674 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.5 p -128.68 152.65 48.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.626 -0.671 . . . . 0.0 110.007 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -137.55 138.72 39.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.485 -0.76 . . . . 0.0 110.026 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.7 t 50.52 49.93 19.82 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.503 -0.748 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.6 p -56.99 171.08 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.927 0.87 . . . . 0.0 111.554 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 34' ' ' ILE . 48.0 mm -68.6 -34.79 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.24 -52.85 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.209 -0.932 . . . . 0.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.171 -0.956 . . . . 0.0 111.777 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.9 -45.63 91.93 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.321 -0.862 . . . . 0.0 111.023 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 23' ' ' LEU . 95.7 mt -60.68 -40.0 90.55 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.431 -0.793 . . . . 0.0 110.972 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.48 93.88 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.485 -0.759 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -59.87 -31.7 70.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.743 -0.598 . . . . 0.0 110.909 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -93.59 12.56 24.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.299 -0.876 . . . . 0.0 110.346 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.96 75.87 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 m -122.94 141.04 52.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.629 -0.924 . . . . 0.0 110.63 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.5 m -160.9 25.49 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.564 -0.71 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 t -112.58 -19.6 12.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.277 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.7 m -95.64 1.56 53.68 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.182 -0.949 . . . . 0.0 111.466 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 14' ' ' LEU . 60.6 tp -57.43 -39.73 76.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.19 -0.944 . . . . 0.0 110.759 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.47 -36.81 55.74 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.365 -0.835 . . . . 0.0 111.8 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.08 -43.61 98.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.115 -0.99 . . . . 0.0 110.967 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.33 -40.06 89.64 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.8 p -64.76 -40.2 94.89 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.42 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.1 m -68.15 -17.23 64.29 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.571 -0.706 . . . . 0.0 111.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -101.64 -12.29 18.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.058 -1.026 . . . . 0.0 112.232 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.06 8.58 57.8 Favored Glycine 0 N--CA 1.501 3.026 0 C-N-CA 120.071 -1.062 . . . . 0.0 110.727 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -97.12 111.42 23.66 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.305 -1.115 . . . . 0.0 109.503 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -130.81 22.39 4.99 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.43 -0.794 . . . . 0.0 111.501 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -146.95 142.82 27.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.114 -0.991 . . . . 0.0 110.06 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 10' ' ' ILE . 27.6 mm -60.08 -39.99 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.506 -0.746 . . . . 0.0 109.608 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -51.52 -24.13 4.87 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.0 111.185 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -69.77 -38.36 76.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.466 -0.771 . . . . 0.0 110.432 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.8 pt -102.73 9.05 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.525 -0.735 . . . . 0.0 112.331 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.994 -1.066 . . . . 0.0 111.526 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.51 -20.39 18.42 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.187 -0.946 . . . . 0.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.46 147.08 46.36 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.492 -0.755 . . . . 0.0 110.816 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -102.37 169.72 8.51 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptm -60.79 -40.8 93.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.333 -0.854 . . . . 0.0 110.615 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -64.85 -40.03 94.51 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.421 -0.799 . . . . 0.0 110.339 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -63.9 -32.53 74.09 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.538 0.685 . . . . 0.0 109.506 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' A' ' 50' ' ' ILE . 34.3 tp -67.0 -20.88 65.95 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 111.171 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -46.4 77.32 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.157 -0.965 . . . . 0.0 110.721 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -51.9 -21.55 3.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.102 -0.999 . . . . 0.0 110.916 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 50' ' ' ILE . 6.2 tp -75.96 10.53 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.334 -0.854 . . . . 0.0 112.521 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 15.4 mmtt 77.12 1.85 3.17 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.541 -0.724 . . . . 0.0 112.079 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.789 HD11 HD23 ' A' ' 48' ' ' LEU . 81.3 mt -77.69 139.51 62.78 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.881 -1.137 . . . . 0.0 109.87 178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.49 171.76 17.03 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 O-C-N 123.68 1.358 . . . . 0.0 109.008 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.62 -23.03 66.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.176 -0.953 . . . . 0.0 111.158 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.99 -36.05 76.33 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.425 -0.797 . . . . 0.0 110.692 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.96 -5.98 25.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 0.0 111.219 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' A' ' 45' ' ' LEU . 17.6 mtm180 -70.82 -52.41 20.6 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.945 -1.097 . . . . 0.0 110.66 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -75.72 -32.66 60.14 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.569 -0.707 . . . . 0.0 110.46 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.94 87.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.0 mt -71.75 -40.13 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.407 -0.808 . . . . 0.0 110.354 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.715 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 t90 -60.0 -36.86 78.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.632 -0.667 . . . . 0.0 110.722 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -60.05 -40.02 87.96 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.699 -0.625 . . . . 0.0 110.828 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.67 -30.11 74.45 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' TRP . 94.9 mt -66.73 -40.02 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.429 -1.041 . . . . 0.0 110.79 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.03 -50.24 74.51 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.085 -1.01 . . . . 0.0 109.984 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -58.25 -34.69 70.74 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.474 -0.766 . . . . 0.0 110.312 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . 48.0 t-80 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.827 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -63.56 -40.1 96.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.496 -0.752 . . . . 0.0 111.156 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -60.4 -39.94 89.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.633 -0.667 . . . . 0.0 112.376 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.8 pp -72.21 -17.7 61.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.968 -1.082 . . . . 0.0 111.076 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -91.65 129.92 37.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.8 164.81 31.61 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.609 -0.682 . . . . 0.0 110.096 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.495 1.792 0 O-C-N 121.559 -0.713 . . . . 0.0 110.38 -179.826 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo . . . . . 0 N--CA 1.489 1.233 0 N-CA-C 110.553 -0.595 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.46 -39.98 89.54 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.461 -0.775 . . . . 0.0 110.392 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -109.97 128.9 55.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.531 -0.731 . . . . 0.0 110.008 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.72 19.19 18.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.67 -0.644 . . . . 0.0 110.972 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 95.7 p -60.42 166.51 3.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.292 -0.88 . . . . 0.0 111.413 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.69 -35.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.806 -0.559 . . . . 0.0 110.69 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 23' ' ' LEU . 62.3 t -52.26 -55.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.292 -0.88 . . . . 0.0 111.315 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.332 -0.855 . . . . 0.0 111.461 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.02 -40.48 89.44 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.682 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.46 -40.02 95.27 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.396 -0.815 . . . . 0.0 110.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.91 95.46 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 109.616 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -60.09 -28.74 68.08 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.136 0.493 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 tp -93.75 12.88 24.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.547 -0.721 . . . . 0.0 109.692 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.58 27.95 70.56 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.2 m -123.92 136.8 54.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.581 -0.952 . . . . 0.0 110.941 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -153.02 21.75 0.57 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.491 -0.755 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -99.19 -20.2 16.74 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.36 -0.838 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.76 3.64 54.78 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.349 -0.845 . . . . 0.0 111.001 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 11' ' ' VAL . 64.6 tp -59.93 -41.55 92.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 27' ' ' THR . 56.4 t0 -54.84 -37.78 66.61 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.263 -0.898 . . . . 0.0 111.452 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 54.9 m-85 -62.93 -44.1 96.99 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.078 -1.014 . . . . 0.0 111.71 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.77 -42.25 74.09 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.048 -1.032 . . . . 0.0 111.24 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -66.12 -39.93 90.3 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.784 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -68.75 -18.4 64.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.505 -0.747 . . . . 0.0 110.936 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -100.32 -12.51 19.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.163 -0.961 . . . . 0.0 112.015 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.26 6.56 58.77 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.7 114.24 26.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.249 -1.148 . . . . 0.0 109.654 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -131.62 29.92 4.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.619 -0.676 . . . . 0.0 111.545 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -155.74 157.22 36.19 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.974 -1.079 . . . . 0.0 111.255 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.98 -39.19 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 48.1 m-85 -54.54 -23.75 17.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.699 -0.625 . . . . 0.0 110.653 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.01 -34.96 73.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.507 -0.745 . . . . 0.0 109.706 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 45.8 pt -116.58 24.82 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.553 -0.717 . . . . 0.0 111.778 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 15.6 mm-40 -60.0 -39.67 86.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.158 -0.964 . . . . 0.0 111.718 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.9 -2.63 25.91 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.282 -0.886 . . . . 0.0 111.14 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 8.8 m-85 -62.71 142.15 58.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.08 -1.013 . . . . 0.0 109.573 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.3 m -100.12 177.88 4.95 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.529 -0.732 . . . . 0.0 109.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mtp -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.582 -0.699 . . . . 0.0 110.511 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.68 -40.01 88.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.575 -0.703 . . . . 0.0 109.765 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -61.09 -38.39 86.08 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.25 0.548 . . . . 0.0 110.283 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 55' ' ' ARG . 45.1 tp -63.95 -26.57 68.65 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.643 -0.661 . . . . 0.0 110.354 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.49 74.86 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 0.0 110.217 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -49.97 -24.76 2.76 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.392 -0.817 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.97 8.11 2.23 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.437 -0.789 . . . . 0.0 112.248 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 20.8 mmmt 78.25 1.73 2.72 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 123.411 0.684 . . . . 0.0 111.689 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 48' ' ' LEU . 82.6 mt -75.64 144.61 77.39 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 120.964 -1.085 . . . . 0.0 109.723 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -84.17 171.63 10.11 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 O-C-N 123.837 1.44 . . . . 0.0 109.049 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.07 -27.25 68.98 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.081 -1.012 . . . . 0.0 111.304 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -35.23 74.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.422 -0.799 . . . . 0.0 110.802 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -98.23 -7.89 28.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.353 -0.842 . . . . 0.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 45' ' ' LEU . 8.8 mtm180 -70.09 -46.31 65.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.968 -1.082 . . . . 0.0 110.605 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 25.0 p80 -76.25 -31.84 58.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.444 -0.785 . . . . 0.0 110.915 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -67.4 -46.83 72.1 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.446 -0.784 . . . . 0.0 111.307 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -72.73 -42.73 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.0 t90 -59.88 -40.33 88.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.561 -0.712 . . . . 0.0 111.436 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.01 -39.93 87.48 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.377 -0.827 . . . . 0.0 111.176 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.33 -30.34 77.25 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 59' ' ' TRP . 86.8 mt -65.79 -35.98 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.701 -0.882 . . . . 0.0 110.865 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.93 -50.03 75.35 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.307 -0.871 . . . . 0.0 110.641 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.79 -39.52 85.23 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.36 -0.837 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.614 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.0 t60 -58.89 -33.91 71.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.35 -0.844 . . . . 0.0 111.786 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.4 -40.52 94.7 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.176 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.7 pp -77.83 -21.66 51.17 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.239 -0.913 . . . . 0.0 110.644 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.04 -41.69 92.81 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.5 -0.75 . . . . 0.0 110.925 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -120.49 128.77 53.44 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.363 -0.836 . . . . 0.0 110.232 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.5 t80 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.461 -0.774 . . . . 0.0 110.216 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo . . . . . 0 N--CA 1.482 0.837 0 N-CA-C 110.336 -0.679 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.4 m -68.86 -39.98 79.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.715 -0.616 . . . . 0.0 110.939 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -118.59 132.63 56.19 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.287 -0.883 . . . . 0.0 110.866 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.09 30.85 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.718 -0.614 . . . . 0.0 110.12 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.22 -168.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.764 . . . . 0.0 110.711 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -69.9 -40.0 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.691 . . . . 0.0 111.341 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.76 -55.51 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.994 -1.066 . . . . 0.0 111.294 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -41.95 93.15 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.287 -0.883 . . . . 0.0 112.168 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.91 -46.14 90.32 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.282 -0.886 . . . . 0.0 111.568 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.11 -39.96 94.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.876 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.55 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.257 -0.902 . . . . 0.0 109.7 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -63.22 -26.22 68.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.755 -0.59 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -99.6 10.48 41.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.514 -0.741 . . . . 0.0 110.074 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.05 29.77 72.26 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 17' ' ' LEU . 70.8 m -117.54 151.58 36.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.475 -1.015 . . . . 0.0 110.254 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -173.96 -35.82 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.436 -0.79 . . . . 0.0 110.119 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -59.02 -26.67 64.76 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.523 -0.735 . . . . 0.0 111.43 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 m -89.8 0.48 56.99 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 tp -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 0.0 110.446 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -53.83 -36.67 62.8 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.215 -0.928 . . . . 0.0 111.866 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -62.74 -40.06 96.04 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.093 -1.005 . . . . 0.0 110.256 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 95.6 m-85 -67.32 -40.12 85.91 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.283 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 p -65.13 -39.96 93.77 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.414 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -65.82 -19.42 65.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 111.376 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -99.0 -6.07 29.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 112.139 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.43 10.16 66.01 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.6 mt -96.59 112.62 24.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -1.083 . . . . 0.0 109.082 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -134.53 29.99 3.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.698 -0.627 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 p -150.1 142.96 24.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.281 -0.887 . . . . 0.0 110.356 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -66.31 -24.91 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.683 -0.636 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -65.86 -26.13 67.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB3' HD23 ' A' ' 31' ' ' LEU . 22.6 mm-40 -67.33 -39.92 85.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 109.654 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 42.9 pt -102.44 9.89 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.712 -0.618 . . . . 0.0 112.11 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.97 -37.95 81.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.956 -1.09 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.47 -12.03 21.73 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.373 -0.829 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 7.2 m-85 -59.2 143.24 49.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.322 -0.861 . . . . 0.0 111.489 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -102.84 178.87 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.797 -0.564 . . . . 0.0 109.571 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.0 mtp -62.63 -40.0 95.61 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.453 -0.779 . . . . 0.0 110.945 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -68.38 -40.0 81.54 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.384 -0.823 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -64.96 -36.76 85.43 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.67 -0.643 . . . . 0.0 111.108 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 55' ' ' ARG . 48.7 tp -69.98 -25.58 63.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.97 82.59 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.253 -0.905 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.4 p -54.37 -21.11 8.67 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.159 -0.963 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 31' ' ' LEU . 1.2 tp -75.32 4.81 6.5 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.326 -0.859 . . . . 0.0 112.297 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 52.7 mttm 78.45 4.09 2.64 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 123.687 0.795 . . . . 0.0 112.307 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 48' ' ' LEU . 57.4 mt -76.24 134.89 70.11 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.917 -1.114 . . . . 0.0 109.354 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.19 168.39 7.74 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 O-C-N 123.637 1.335 . . . . 0.0 109.301 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 84.4 tt0 -69.53 -30.23 68.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.02 -1.05 . . . . 0.0 110.491 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.12 -22.28 62.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.714 -0.616 . . . . 0.0 110.072 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -101.4 -14.38 17.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 111.303 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HA ' HD23 ' A' ' 45' ' ' LEU . 19.2 mtm180 -69.69 -40.11 76.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.064 -1.022 . . . . 0.0 110.562 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -79.05 -37.9 37.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.461 -0.774 . . . . 0.0 110.69 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -63.66 -43.28 97.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.0 111.373 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -76.62 -40.51 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.337 -0.852 . . . . 0.0 110.767 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.739 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.2 t90 -59.96 -39.39 85.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.494 -0.754 . . . . 0.0 110.911 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.0 -41.32 91.85 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.547 -0.721 . . . . 0.0 111.669 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.35 74.85 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.5 mt -65.8 -41.27 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.953 . . . . 0.0 110.957 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.0 -49.17 78.73 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.316 -0.865 . . . . 0.0 110.651 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.91 -40.34 88.51 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.553 -0.717 . . . . 0.0 111.161 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.716 ' HA ' HD23 ' A' ' 68' ' ' LEU . 84.4 t60 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 110.408 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -64.46 -39.48 93.89 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.697 -0.627 . . . . 0.0 110.694 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.07 -38.14 81.98 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.538 -0.726 . . . . 0.0 111.798 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.2 pp -68.76 -23.98 64.38 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.026 -1.046 . . . . 0.0 110.551 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -89.8 106.22 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -102.03 129.86 48.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.538 -0.727 . . . . 0.0 109.727 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.57 -0.706 . . . . 0.0 110.327 -179.707 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 N--CA 1.487 1.146 0 N-CA-C 110.507 -0.613 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -139.34 151.61 46.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -148.96 160.53 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.636 -0.665 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' HD12 ' A' ' 34' ' ' ILE . 28.5 p -106.34 23.44 14.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.704 -0.623 . . . . 0.0 110.475 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -59.64 164.94 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.652 0.739 . . . . 0.0 111.205 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.86 -25.86 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.022 -0.424 . . . . 0.0 110.856 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 23' ' ' LEU . 76.1 t -59.96 -52.73 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.312 -0.868 . . . . 0.0 109.876 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.405 -0.809 . . . . 0.0 111.072 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.54 94.94 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.442 -0.786 . . . . 0.0 111.331 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.76 -40.21 96.15 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.381 -0.824 . . . . 0.0 111.077 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.18 96.51 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -60.0 -29.59 68.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.876 -0.515 . . . . 0.0 110.401 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.08 17.22 12.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.565 -0.71 . . . . 0.0 110.389 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.57 26.28 66.4 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.8 m -122.21 129.88 52.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.511 -0.994 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -154.14 24.02 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 109.982 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -100.93 -28.36 12.8 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.446 -0.784 . . . . 0.0 110.961 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.7 m -91.91 5.89 48.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.314 -0.866 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 HG22 ' A' ' 11' ' ' VAL . 56.2 tp -59.56 -43.36 93.58 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.702 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -51.65 -34.48 38.22 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.33 -0.856 . . . . 0.0 111.447 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.88 -40.02 95.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.002 -1.061 . . . . 0.0 109.884 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 78.4 m-85 -67.64 -39.97 84.61 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.383 -0.823 . . . . 0.0 110.606 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 p -65.31 -41.49 93.98 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.588 -0.695 . . . . 0.0 110.112 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -68.8 -14.54 63.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.63 -0.669 . . . . 0.0 111.246 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -14.89 17.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.078 -1.014 . . . . 0.0 112.028 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.56 19.68 47.69 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.21 114.99 29.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.343 -1.092 . . . . 0.0 109.267 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.9 p -133.08 25.6 4.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.162 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -148.75 139.44 22.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.008 -1.058 . . . . 0.0 110.784 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 8' ' ' CYS . 97.2 mt -60.32 -39.88 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.531 -0.731 . . . . 0.0 109.855 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 33.7 m-85 -50.92 -23.25 2.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.395 -0.815 . . . . 0.0 111.063 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -70.03 -37.91 75.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.515 -0.74 . . . . 0.0 109.977 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.9 pt -106.07 17.07 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.507 -0.746 . . . . 0.0 112.395 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.95 -39.25 84.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.986 -1.071 . . . . 0.0 112.418 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -101.24 -3.65 28.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.913 -1.117 . . . . 0.0 111.103 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.41 141.75 57.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.28 -0.888 . . . . 0.0 110.777 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 m -102.26 177.8 4.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.608 -0.683 . . . . 0.0 109.881 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.5 mtp -61.21 -43.64 98.56 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.557 -0.714 . . . . 0.0 111.249 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.0 -39.9 90.7 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.39 -0.819 . . . . 0.0 110.06 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.06 -37.98 81.48 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.832 -0.543 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.7 tp -64.67 -28.93 69.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.603 -0.685 . . . . 0.0 111.258 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.29 70.17 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.177 -0.952 . . . . 0.0 110.382 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 t -50.01 -25.91 3.81 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.487 -0.758 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 50' ' ' ILE . 6.8 tp -71.72 2.95 4.56 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.492 -0.755 . . . . 0.0 112.044 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 7.9 mtpt 78.45 0.19 2.57 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 123.312 0.645 . . . . 0.0 111.334 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 48' ' ' LEU . 96.7 mt -74.73 133.56 76.41 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.128 -0.983 . . . . 0.0 109.602 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.55 172.01 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 O-C-N 123.683 1.359 . . . . 0.0 109.825 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -22.74 63.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.077 -1.014 . . . . 0.0 111.299 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -60.08 -30.51 69.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.529 -0.732 . . . . 0.0 110.474 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -98.81 -2.79 37.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.51 -0.744 . . . . 0.0 111.748 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HA ' HD23 ' A' ' 45' ' ' LEU . 45.7 mtm180 -70.23 -49.49 49.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.825 -1.172 . . . . 0.0 110.342 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -75.8 -34.33 60.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.626 -0.671 . . . . 0.0 110.386 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.85 73.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.467 -0.771 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.78 -42.69 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.365 -0.834 . . . . 0.0 111.383 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -59.92 -35.62 75.29 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.06 -40.46 89.54 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.402 -0.811 . . . . 0.0 110.853 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.06 -31.59 66.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mm -63.82 -39.99 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -1.002 . . . . 0.0 110.83 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -50.0 75.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.406 -0.809 . . . . 0.0 111.063 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -60.3 -39.95 88.79 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.405 -0.81 . . . . 0.0 111.487 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -60.52 -43.56 96.97 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 110.032 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.0 -39.12 84.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.694 -0.629 . . . . 0.0 110.102 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.02 -38.86 83.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.692 -0.63 . . . . 0.0 111.135 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -33.25 71.62 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.41 -0.807 . . . . 0.0 109.918 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -98.98 170.78 8.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.67 -0.644 . . . . 0.0 110.044 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -149.6 161.24 42.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.839 . . . . 0.0 110.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.647 -0.658 . . . . 0.0 110.152 179.82 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.489 1.258 0 N-CA-C 110.735 -0.525 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -105.34 5.54 31.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.647 -0.658 . . . . 0.0 110.591 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -118.83 131.15 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.252 -0.905 . . . . 0.0 109.78 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.6 p -124.59 38.89 4.1 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -58.98 163.18 3.66 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 122.087 0.946 . . . . 0.0 111.962 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -70.03 -34.63 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.311 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -49.79 -50.6 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 120.937 -1.102 . . . . 0.0 110.474 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -59.95 -39.81 86.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.614 -0.678 . . . . 0.0 110.905 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.94 -49.98 75.54 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.4 -0.812 . . . . 0.0 111.929 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.36 -39.14 86.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.366 -0.834 . . . . 0.0 110.731 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.2 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.354 -0.841 . . . . 0.0 109.385 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.99 -29.95 69.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.784 -0.572 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -100.03 15.17 28.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.323 -0.861 . . . . 0.0 110.617 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.05 73.82 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -122.64 150.23 42.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.482 -1.011 . . . . 0.0 110.124 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -173.85 -36.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.437 -0.789 . . . . 0.0 110.163 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 m -51.16 -24.66 4.36 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.489 -0.757 . . . . 0.0 111.81 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -91.91 2.53 56.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.242 -0.911 . . . . 0.0 111.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.29 -39.95 80.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.201 -0.937 . . . . 0.0 111.186 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.75 -33.56 48.91 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.23 -0.919 . . . . 0.0 111.62 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 48' ' ' LEU . 36.8 m-85 -63.06 -42.85 99.78 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.7 m-85 -69.96 -40.12 75.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.241 -0.912 . . . . 0.0 110.956 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -60.93 -50.04 75.01 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.753 -0.592 . . . . 0.0 111.086 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -66.76 -9.81 40.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.42 -0.8 . . . . 0.0 111.872 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 28' ' ' THR . 55.4 mm-40 -99.37 -14.63 19.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.021 -1.049 . . . . 0.0 111.821 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.65 14.47 43.62 Favored Glycine 0 N--CA 1.499 2.867 0 C-N-CA 120.106 -1.045 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.38 113.61 27.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.319 -1.106 . . . . 0.0 109.6 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -129.35 22.5 5.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.451 -0.781 . . . . 0.0 112.274 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.42 ' CB ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -147.36 143.3 27.9 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.88 -1.138 . . . . 0.0 110.086 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 35' ' ' TYR . 19.8 tt -65.12 -38.1 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.727 -0.608 . . . . 0.0 111.023 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' HA ' ' HG3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -60.0 -27.27 66.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 110.742 -178.587 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HG3' ' CB ' ' A' ' 33' ' ' THR . 13.5 mt-30 -64.74 -37.21 86.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.632 -0.667 . . . . 0.0 110.911 -178.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 pt -92.46 26.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.324 -0.86 . . . . 0.0 110.778 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.468 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 76.9 mt-10 -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.344 -0.847 . . . . 0.0 112.573 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -108.13 -3.96 18.13 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.962 -1.086 . . . . 0.0 113.035 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.493 ' HE2' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -56.66 142.94 38.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.961 -1.087 . . . . 0.0 110.956 -178.518 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -103.41 -179.26 3.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.212 -0.93 . . . . 0.0 110.571 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.66 -40.0 93.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.361 0.6 . . . . 0.0 110.374 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.02 -40.07 75.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.6 -0.688 . . . . 0.0 111.027 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.32 -38.91 88.56 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.882 -0.511 . . . . 0.0 110.741 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 55' ' ' ARG . 55.9 tp -67.5 -30.25 69.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.287 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.214 -0.929 . . . . 0.0 109.938 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.9 t -51.84 -24.0 5.53 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.261 -0.899 . . . . 0.0 110.08 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.17 4.38 3.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.415 -0.803 . . . . 0.0 111.842 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 89.6 mttt 79.34 3.05 2.29 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 123.697 0.799 . . . . 0.0 111.687 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.594 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 90.4 mt -78.24 142.54 63.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.948 -1.095 . . . . 0.0 109.166 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.17 168.25 25.12 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.754 1.397 . . . . 0.0 108.937 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.34 -27.82 67.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.127 -0.983 . . . . 0.0 110.376 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.05 -30.15 69.0 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.48 -12.11 20.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.575 -0.703 . . . . 0.0 111.016 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HA ' HD23 ' A' ' 45' ' ' LEU . 23.1 mtm180 -69.74 -40.07 76.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.992 -1.068 . . . . 0.0 110.775 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 23.2 p80 -82.9 -28.34 30.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.31 -0.869 . . . . 0.0 110.826 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -70.23 -44.99 67.44 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.394 -0.816 . . . . 0.0 110.978 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -72.82 -40.48 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.717 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.626 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.5 t90 -59.89 -36.83 77.77 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.661 -0.649 . . . . 0.0 110.883 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.1 -39.89 87.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.636 -0.665 . . . . 0.0 111.308 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.34 72.54 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.0 mt -67.47 -40.05 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.416 -1.049 . . . . 0.0 110.916 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.99 -50.83 72.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.353 -0.842 . . . . 0.0 110.968 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.02 -38.08 81.65 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.976 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.368 -0.832 . . . . 0.0 109.662 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.61 -40.56 92.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.693 -0.63 . . . . 0.0 109.95 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -62.36 -37.68 86.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.727 -0.608 . . . . 0.0 110.772 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -31.33 68.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.586 -0.696 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -91.2 123.35 34.58 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.06 144.19 52.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.734 -0.604 . . . . 0.0 110.689 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.623 -0.673 . . . . 0.0 110.046 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo . . . . . 0 N--CA 1.486 1.049 0 N-CA-C 110.21 -0.727 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -131.14 164.27 25.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.486 -0.759 . . . . 0.0 110.373 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -137.98 155.21 49.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.743 -0.598 . . . . 0.0 110.082 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 m -108.33 23.62 14.24 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.667 -0.646 . . . . 0.0 110.435 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -57.2 171.31 0.4 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.331 -0.856 . . . . 0.0 111.262 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.0 -39.29 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.722 -0.611 . . . . 0.0 111.926 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG22 HD11 ' A' ' 23' ' ' LEU . 57.9 t -51.04 -52.65 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 O-C-N 120.94 -1.1 . . . . 0.0 111.277 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -60.0 -40.03 87.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.36 -0.838 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.92 -47.32 86.27 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.545 -0.722 . . . . 0.0 111.32 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD13 ' A' ' 23' ' ' LEU . 85.4 mt -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.419 -0.801 . . . . 0.0 109.849 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.93 92.99 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.669 -0.644 . . . . 0.0 109.774 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.04 -27.75 67.18 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.747 -0.596 . . . . 0.0 110.122 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.45 10.58 40.53 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.587 -0.696 . . . . 0.0 109.843 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.32 76.13 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -121.27 137.81 54.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.485 -1.009 . . . . 0.0 111.054 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p -158.6 22.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.252 -0.905 . . . . 0.0 110.479 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.1 p -104.43 -20.26 13.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.222 -0.924 . . . . 0.0 111.142 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.3 m -100.06 3.05 43.84 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.297 -0.877 . . . . 0.0 111.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 11' ' ' VAL . 47.6 tp -57.8 -40.03 78.94 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.199 -0.938 . . . . 0.0 110.543 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 27' ' ' THR . 66.6 m-20 -51.73 -33.88 36.63 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.497 -0.752 . . . . 0.0 112.136 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -64.37 -40.65 96.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.28 -0.887 . . . . 0.0 111.113 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -70.0 -41.11 74.8 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.413 -0.805 . . . . 0.0 111.398 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -70.27 -40.03 74.6 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.443 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -67.31 -18.71 65.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.502 -0.749 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -101.64 -8.41 21.84 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.264 -0.898 . . . . 0.0 112.041 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.48 -0.91 63.74 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.493 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 48' ' ' LEU . 3.8 mp -91.02 111.39 22.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 108.787 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' HG23 ' A' ' 33' ' ' THR . 73.4 p -130.21 23.52 5.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.619 -0.676 . . . . 0.0 111.626 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 32' ' ' THR . 71.0 p -147.68 151.28 35.88 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.05 -1.032 . . . . 0.0 110.509 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.98 -39.97 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 CA-C-O 121.375 0.607 . . . . 0.0 109.549 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.33 -26.22 11.68 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.765 -0.584 . . . . 0.0 111.507 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mm100 -70.04 -33.3 71.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.438 -0.789 . . . . 0.0 109.956 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.23 10.04 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 111.997 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.04 -37.45 79.86 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.0 -1.063 . . . . 0.0 110.866 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -100.36 -16.56 17.6 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.4 -0.813 . . . . 0.0 111.327 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 13.3 m-85 -61.16 143.14 56.07 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.32 -0.863 . . . . 0.0 110.548 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -101.81 -177.85 3.54 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.49 -40.11 96.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.854 -0.529 . . . . 0.0 111.165 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.87 -39.99 75.99 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 110.342 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.94 -35.64 80.79 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.332 0.587 . . . . 0.0 109.701 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HG2' ' A' ' 55' ' ' ARG . 24.7 tp -64.91 -29.94 70.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.744 -0.597 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . . . -56.06 -43.2 77.7 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.304 -0.873 . . . . 0.0 108.925 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -50.04 -27.88 6.21 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.777 -0.577 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 tp -78.32 10.18 3.26 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.337 -0.852 . . . . 0.0 112.265 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 3.1 mtpp 79.24 5.34 2.2 Favored 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 123.339 0.655 . . . . 0.0 111.964 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 45' ' ' LEU . 87.1 mt -78.29 146.34 70.4 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 120.98 -1.075 . . . . 0.0 109.503 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.83 163.8 10.46 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 O-C-N 123.59 1.311 . . . . 0.0 109.242 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -60.76 -25.77 66.75 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.138 -0.976 . . . . 0.0 110.737 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.07 -36.66 77.84 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.119 0.961 . . . . 0.0 110.289 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -97.35 -16.9 20.05 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.265 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.745 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.0 mtm180 -69.97 -40.01 75.65 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.031 -1.043 . . . . 0.0 110.911 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -76.45 -39.94 51.91 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.49 -0.756 . . . . 0.0 111.676 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.61 75.71 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.413 -0.804 . . . . 0.0 111.52 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.57 -44.18 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.1 t90 -60.04 -40.05 88.06 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.488 -0.757 . . . . 0.0 110.259 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 0.0 110.241 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -29.02 67.65 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.0 mt -63.22 -39.66 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.544 -0.974 . . . . 0.0 110.776 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.03 -47.73 84.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.157 -0.965 . . . . 0.0 110.12 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.94 -39.3 81.22 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.371 -0.831 . . . . 0.0 110.482 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.42 ' HA ' HD23 ' A' ' 68' ' ' LEU . 77.2 t60 -60.02 -40.03 87.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.764 -0.585 . . . . 0.0 110.426 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.42 -40.03 92.86 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.44 -0.788 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.191 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp -73.28 -28.49 62.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.146 -0.971 . . . . 0.0 111.071 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.18 -43.87 95.51 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 110.788 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -86.85 120.53 28.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.545 -0.722 . . . . 0.0 110.06 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.564 -0.71 . . . . 0.0 110.322 -179.607 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 N-CA-C 110.55 -0.596 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -140.47 152.35 45.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.419 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -105.49 136.37 45.17 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.556 -0.715 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.81 26.93 9.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.664 -0.648 . . . . 0.0 110.742 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -56.38 179.71 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.445 -0.784 . . . . 0.0 111.222 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.09 -39.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.733 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 23' ' ' LEU . 93.4 t -51.37 -55.41 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 O-C-N 121.343 -0.848 . . . . 0.0 111.459 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.342 -0.849 . . . . 0.0 111.087 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 62' ' ' ILE . 72.4 t80 -60.06 -44.59 94.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.474 -0.766 . . . . 0.0 111.801 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.92 -39.97 91.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.212 -0.93 . . . . 0.0 110.799 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.4 96.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.535 -0.728 . . . . 0.0 109.451 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -29.37 69.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.872 -0.518 . . . . 0.0 110.217 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' ' 57' ' ' ALA . 25.4 tp -97.77 13.8 29.17 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.277 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.94 27.52 73.64 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.5 m -114.41 151.98 32.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.502 -0.999 . . . . 0.0 109.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -173.14 -36.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -60.07 -25.75 65.62 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.47 7.61 35.18 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.212 -0.93 . . . . 0.0 111.248 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 11' ' ' VAL . 47.5 tp -59.39 -39.96 85.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.293 -0.879 . . . . 0.0 110.257 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 27' ' ' THR . 39.4 t0 -52.71 -37.22 58.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.394 -0.816 . . . . 0.0 112.355 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -63.7 -40.5 96.95 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.789 -1.195 . . . . 0.0 111.051 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 84.8 m-85 -70.1 -41.57 73.85 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.387 -0.821 . . . . 0.0 111.801 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 24' ' ' ASP . 8.2 t -66.06 -39.37 90.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.7 m -67.8 -17.41 64.51 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.552 -0.717 . . . . 0.0 111.442 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -98.72 -9.42 24.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.069 -1.019 . . . . 0.0 112.635 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 16.75 57.66 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.82 113.21 25.92 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.378 -1.072 . . . . 0.0 109.365 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -134.71 28.36 3.59 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.09 139.42 22.37 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.215 -0.928 . . . . 0.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.14 -30.1 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.621 -0.674 . . . . 0.0 109.357 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.05 -25.47 65.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.761 -0.587 . . . . 0.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.98 -30.0 67.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.584 -0.697 . . . . 0.0 110.064 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.3 pt -111.09 13.43 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 112.543 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.95 -38.3 82.04 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.867 -1.145 . . . . 0.0 110.755 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -98.7 -13.21 20.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.451 -0.781 . . . . 0.0 111.211 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.92 139.92 57.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.253 -0.905 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -101.55 -178.43 3.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.578 -0.701 . . . . 0.0 109.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 98.7 mtp -63.11 -39.91 96.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.529 -0.732 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -67.25 -39.99 86.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.102 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.09 -34.23 77.57 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.271 0.558 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.5 tp -68.64 -22.96 64.38 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.572 -0.705 . . . . 0.0 111.3 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.89 84.58 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.11 -0.994 . . . . 0.0 109.844 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -50.52 -24.7 3.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.356 -0.84 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -75.67 8.04 3.29 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 112.13 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 55.7 mttm 70.12 8.91 6.87 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.43 -0.794 . . . . 0.0 112.493 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 48' ' ' LEU . 25.0 mt -78.54 137.45 59.19 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 109.101 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.35 171.44 16.12 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.639 1.336 . . . . 0.0 109.546 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.3 mt-10 -66.11 -28.83 69.11 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.023 -1.048 . . . . 0.0 110.975 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.18 -28.73 68.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.508 -0.745 . . . . 0.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.47 -12.08 18.09 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.65 -0.656 . . . . 0.0 111.148 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 45' ' ' LEU . 27.6 mtm-85 -71.63 -45.92 60.64 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -79.06 -27.79 43.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.337 -0.852 . . . . 0.0 110.786 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -72.53 -44.79 61.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.413 -0.804 . . . . 0.0 110.987 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.3 mt -71.84 -43.72 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.428 -0.795 . . . . 0.0 110.448 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 16.5 t90 -59.98 -39.33 85.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.625 -0.672 . . . . 0.0 110.566 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -59.92 -40.03 87.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.616 -0.677 . . . . 0.0 111.29 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.11 59.92 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.414 HG13 ' CZ ' ' A' ' 13' ' ' PHE . 85.4 mt -68.91 -39.98 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.412 -1.052 . . . . 0.0 110.789 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -60.59 -44.93 95.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 81.3 m-20 -58.75 -38.01 77.48 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.183 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.7 t60 -50.32 -28.53 8.04 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.633 -0.667 . . . . 0.0 110.748 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.96 -40.82 75.19 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.502 -0.749 . . . . 0.0 111.395 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -65.07 -39.99 94.05 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.3 pp -73.91 -20.34 60.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.091 -1.005 . . . . 0.0 111.055 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -83.95 109.96 18.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.375 -0.828 . . . . 0.0 109.91 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -68.04 139.31 56.28 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.48 -0.762 . . . . 0.0 110.654 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.768 -0.582 . . . . 0.0 110.534 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.489 1.245 0 N-CA-C 110.53 -0.604 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -60.51 -44.0 96.49 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.575 -0.703 . . . . 0.0 110.558 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -115.81 127.26 54.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.369 -0.832 . . . . 0.0 109.884 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.01 30.29 6.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.36 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.0 p -58.98 -171.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.501 -0.75 . . . . 0.0 110.946 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -70.02 -38.67 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.749 -0.595 . . . . 0.0 111.186 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 23' ' ' LEU . 83.4 t -58.19 -50.89 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.401 -0.812 . . . . 0.0 110.851 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -60.01 -42.08 93.55 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.175 -0.953 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.93 -40.71 89.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.432 -0.792 . . . . 0.0 111.493 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.88 87.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.009 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.26 96.71 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.206 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -61.91 -26.04 67.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.609 -0.682 . . . . 0.0 110.56 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD21 ' O ' ' A' ' 57' ' ' ALA . 19.2 tp -100.1 7.82 44.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.424 -0.797 . . . . 0.0 110.26 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.32 30.8 73.62 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.8 159.48 20.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.906 . . . . 0.0 110.66 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.03 -37.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.371 -0.83 . . . . 0.0 109.934 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -60.5 -23.62 64.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.561 -0.712 . . . . 0.0 111.334 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.26 0.71 57.1 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.256 -0.903 . . . . 0.0 111.221 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 11' ' ' VAL . 53.7 tp -59.8 -40.76 89.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.27 -0.894 . . . . 0.0 111.058 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -54.86 -37.67 66.53 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.182 -0.949 . . . . 0.0 111.692 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -60.54 -41.16 93.9 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.196 -0.94 . . . . 0.0 110.86 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' A' ' 48' ' ' LEU . 80.2 m-85 -69.85 -39.99 76.08 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.405 -0.809 . . . . 0.0 111.357 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -65.93 -40.03 91.04 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.47 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -67.85 -17.3 64.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.584 -0.697 . . . . 0.0 111.526 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' CB ' HD12 ' A' ' 31' ' ' LEU . 29.5 mm-40 -99.73 -8.57 24.11 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.182 -0.949 . . . . 0.0 112.451 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.6 14.09 55.92 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 48' ' ' LEU . 2.1 mp -99.01 111.81 24.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.279 -1.13 . . . . 0.0 108.813 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 33' ' ' THR . 32.0 p -129.04 26.82 5.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.75 -0.593 . . . . 0.0 110.915 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -155.66 140.2 16.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.313 -0.867 . . . . 0.0 110.712 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 35' ' ' TYR . 14.9 tt -60.04 -37.54 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 57.5 m-85 -56.32 -21.23 22.94 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.634 -0.666 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.62 -38.51 80.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.468 -0.77 . . . . 0.0 110.415 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 pt -109.66 19.03 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 119.695 -0.802 . . . . 0.0 112.116 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 43.5 mm-40 -60.08 -36.02 76.46 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.052 -1.03 . . . . 0.0 111.02 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.88 -14.4 21.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.437 -0.789 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 9.8 m-85 -62.29 141.79 58.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.368 -0.832 . . . . 0.0 111.211 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -106.97 -175.91 2.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.669 -0.644 . . . . 0.0 109.427 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 64.8 mtt -60.04 -40.19 88.52 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.449 -0.782 . . . . 0.0 111.12 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -66.52 -39.98 88.92 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.212 -0.93 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 75.8 m-20 -64.34 -34.48 78.25 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.642 -0.661 . . . . 0.0 109.853 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 55' ' ' ARG . 29.0 tp -69.68 -26.69 64.49 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.818 -0.551 . . . . 0.0 111.845 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -46.15 72.27 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.897 -1.127 . . . . 0.0 110.313 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 t -52.75 -23.43 6.77 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.3 -0.875 . . . . 0.0 110.585 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 50' ' ' ILE . 5.4 tp -73.83 4.02 5.82 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.394 -0.816 . . . . 0.0 112.276 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 25.4 mmmt 77.54 4.29 3.07 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.666 -0.647 . . . . 0.0 111.911 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 48' ' ' LEU . 66.0 mt -78.65 152.45 77.91 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.71 -1.244 . . . . 0.0 109.386 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.81 171.46 8.25 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 O-C-N 123.55 1.29 . . . . 0.0 109.611 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.36 -30.26 71.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.14 -0.975 . . . . 0.0 110.577 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.11 -27.58 67.14 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.54 -0.725 . . . . 0.0 109.862 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' HD12 ' A' ' 58' ' ' ILE . 13.5 m-85 -100.42 -15.26 18.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.597 -0.689 . . . . 0.0 110.701 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 45' ' ' LEU . 54.7 mtm-85 -70.01 -45.45 67.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.087 -1.008 . . . . 0.0 110.15 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -72.51 -40.04 67.16 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.434 -0.791 . . . . 0.0 111.668 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -66.94 -42.44 85.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.473 -0.767 . . . . 0.0 111.758 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 54' ' ' PHE . 93.3 mt -73.51 -47.59 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.549 -0.719 . . . . 0.0 111.35 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.679 ' HA ' HD12 ' A' ' 62' ' ' ILE . 63.5 t90 -60.05 -37.82 80.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.48 -0.763 . . . . 0.0 111.302 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.82 -40.05 87.12 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.378 -0.826 . . . . 0.0 110.711 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.11 -32.11 69.29 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.0 mt -67.21 -40.07 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.429 -1.042 . . . . 0.0 111.114 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -60.39 -43.33 96.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.334 -0.854 . . . . 0.0 110.26 -179.313 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 90.0 m-20 -59.88 -40.1 87.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.306 -0.872 . . . . 0.0 110.506 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -59.98 -43.81 94.89 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.523 -0.736 . . . . 0.0 110.132 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.17 -36.79 78.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.627 -0.671 . . . . 0.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -59.9 -38.79 83.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.456 -0.778 . . . . 0.0 110.893 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -41.43 73.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.492 -0.755 . . . . 0.0 110.676 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -126.22 129.59 49.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.26 -40.1 89.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.21 -0.931 . . . . 0.0 109.548 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.294 -1.847 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.021 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo . . . . . 0 N--CA 1.487 1.127 0 N-CA-C 110.095 -0.771 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 7' ' ' ASP . 13.4 t -61.22 -39.39 90.08 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.617 -0.677 . . . . 0.0 110.933 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 6' ' ' THR . 93.3 m-20 52.36 48.52 22.46 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.196 -0.94 . . . . 0.0 110.439 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.784 ' HB3' HD12 ' A' ' 34' ' ' ILE . 1.2 m -88.15 62.67 6.87 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.621 -0.675 . . . . 0.0 110.588 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.6 p -56.81 175.9 0.11 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.426 -0.796 . . . . 0.0 111.307 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.56 -37.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.857 -0.527 . . . . 0.0 110.858 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG22 HD21 ' A' ' 23' ' ' LEU . 60.1 t -50.14 -51.67 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.289 -0.882 . . . . 0.0 111.176 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -60.79 -40.24 91.89 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.449 -0.782 . . . . 0.0 112.056 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.151 -0.968 . . . . 0.0 111.012 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.46 -40.05 95.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.491 -0.756 . . . . 0.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.92 98.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.585 -0.697 . . . . 0.0 109.576 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -59.98 -31.54 70.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.777 -0.577 . . . . 0.0 110.056 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.3 14.39 16.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.489 -0.757 . . . . 0.0 110.435 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.11 72.91 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.86 142.9 51.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.032 . . . . 0.0 110.732 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.34 26.74 0.24 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.4 p -111.23 -15.49 13.63 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.441 -0.787 . . . . 0.0 111.516 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.61 0.04 41.31 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.163 -0.961 . . . . 0.0 111.301 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD21 HG22 ' A' ' 11' ' ' VAL . 40.8 tp -60.02 -40.23 88.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.316 -0.865 . . . . 0.0 110.826 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.37 -36.55 63.98 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.38 -0.825 . . . . 0.0 111.904 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.92 -40.0 93.98 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.076 -1.015 . . . . 0.0 110.299 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 50' ' ' ILE . 87.4 m-85 -69.81 -40.01 76.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.422 -0.799 . . . . 0.0 110.626 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.8 p -64.35 -41.37 96.79 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.267 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 m -67.73 -15.14 63.49 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.669 -0.644 . . . . 0.0 111.113 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' CB ' ' CD1' ' A' ' 31' ' ' LEU . 44.5 mm-40 -100.42 -13.45 18.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.109 -0.994 . . . . 0.0 111.997 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 10.63 56.39 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -101.14 114.96 29.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.354 -1.086 . . . . 0.0 109.738 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 33' ' ' THR . 6.9 p -129.91 32.54 4.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.633 -0.667 . . . . 0.0 111.154 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 32' ' ' THR . 1.4 p -155.86 147.81 23.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.19 -0.944 . . . . 0.0 110.702 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 8' ' ' CYS . 96.6 mt -62.57 -40.03 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.687 -0.633 . . . . 0.0 109.96 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 71.9 m-85 -52.95 -23.51 7.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.54 -0.725 . . . . 0.0 111.096 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HB3' HD23 ' A' ' 31' ' ' LEU . 14.4 mm100 -69.96 -36.27 75.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.745 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 62' ' ' ILE . 47.5 pt -99.95 2.28 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.679 -0.638 . . . . 0.0 112.102 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 57.2 mt-10 -59.92 -37.11 78.53 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.881 -1.137 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -92.47 -24.69 18.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.327 -0.858 . . . . 0.0 110.341 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.01 138.63 57.81 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 110.299 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -172.57 2.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.086 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.82 -42.48 97.79 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.514 -0.741 . . . . 0.0 110.502 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -63.63 -39.92 95.59 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.469 -0.769 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -65.67 -37.97 88.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.865 -0.522 . . . . 0.0 111.409 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 55' ' ' ARG . 33.4 tp -63.91 -36.37 83.72 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.561 -0.712 . . . . 0.0 110.534 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.85 74.47 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.366 -0.834 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -50.05 -25.5 3.47 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.233 -0.917 . . . . 0.0 110.739 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 HD11 ' A' ' 50' ' ' ILE . 4.5 tp -75.48 10.35 1.72 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.411 -0.805 . . . . 0.0 112.169 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 74.7 mttt 79.97 -0.16 2.08 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 124.244 1.017 . . . . 0.0 111.914 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 48' ' ' LEU . 70.7 mt -78.58 128.25 78.0 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.004 -1.06 . . . . 0.0 109.337 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.95 166.97 12.99 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 O-C-N 123.575 1.302 . . . . 0.0 110.087 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.3 mt-10 -70.01 -26.11 63.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.191 -0.943 . . . . 0.0 111.535 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.02 -35.62 75.47 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.291 -0.88 . . . . 0.0 110.352 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -95.38 -6.11 41.75 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.55 -0.719 . . . . 0.0 110.375 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' ' 45' ' ' LEU . 12.8 mtp180 -70.94 -39.92 72.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.019 -1.051 . . . . 0.0 110.357 178.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.81 -40.06 55.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.554 -0.716 . . . . 0.0 110.913 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.16 74.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.4 -0.812 . . . . 0.0 111.651 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.34 -46.08 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.455 -0.778 . . . . 0.0 111.244 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.612 ' HA ' HD12 ' A' ' 62' ' ' ILE . 47.4 t90 -59.96 -40.04 87.65 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.544 -0.722 . . . . 0.0 111.292 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.381 -0.824 . . . . 0.0 111.454 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.12 -26.8 59.14 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.8 mt -67.09 -35.9 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.56 -0.965 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.94 -51.27 70.41 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.353 -0.842 . . . . 0.0 109.996 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -58.06 -38.09 75.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.584 -0.698 . . . . 0.0 110.383 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -60.09 -39.9 87.73 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.52 -0.737 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.04 -42.44 94.43 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.449 -0.782 . . . . 0.0 111.671 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.18 -36.35 83.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.318 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -39.95 71.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 0.0 110.484 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -106.96 116.7 32.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.737 -0.602 . . . . 0.0 109.919 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -99.99 122.48 42.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.623 -0.673 . . . . 0.0 109.8 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.63 -0.669 . . . . 0.0 110.301 -179.338 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 N--CA 1.486 1.075 0 N-CA-C 110.076 -0.778 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 m -82.91 138.4 33.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.457 -0.777 . . . . 0.0 109.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -126.77 135.34 50.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.59 -0.694 . . . . 0.0 110.186 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.51 27.32 5.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.613 -0.679 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -59.49 169.76 1.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.014 0.912 . . . . 0.0 111.748 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 31' ' ' LEU . 96.3 mt -68.75 -33.95 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.377 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 23' ' ' LEU . 94.3 t -55.86 -52.32 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.109 -0.995 . . . . 0.0 110.636 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 m -60.02 -40.2 88.5 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.289 -0.882 . . . . 0.0 111.364 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB2' HD11 ' A' ' 34' ' ' ILE . 84.3 t80 -60.02 -40.1 88.15 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.468 -0.77 . . . . 0.0 110.812 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 23' ' ' LEU . 76.8 mt -64.65 -39.89 94.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.609 -0.682 . . . . 0.0 110.67 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.86 92.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.44 -0.787 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -60.08 -29.02 68.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.543 -0.723 . . . . 0.0 110.214 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.668 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -96.52 13.06 29.31 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.596 -0.69 . . . . 0.0 110.112 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.0 27.68 73.05 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.4 m -116.85 152.46 34.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.445 -1.032 . . . . 0.0 110.091 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -173.01 -34.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.226 -0.921 . . . . 0.0 110.268 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -58.21 -26.41 62.8 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.369 -0.832 . . . . 0.0 111.51 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.5 m -90.05 2.69 54.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.173 -0.954 . . . . 0.0 111.224 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 11' ' ' VAL . 54.0 tp -58.87 -39.55 81.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.316 -0.865 . . . . 0.0 110.403 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.98 -37.54 45.4 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.256 -0.902 . . . . 0.0 112.472 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -64.33 -42.48 96.27 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.97 -1.081 . . . . 0.0 111.272 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 50' ' ' ILE . 63.5 m-85 -67.45 -40.0 85.36 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 110.526 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 p -63.7 -41.78 98.07 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -68.68 -14.11 62.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.601 . . . . 0.0 111.328 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -98.95 -13.29 20.02 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.103 -0.998 . . . . 0.0 111.89 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.27 19.98 47.51 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -97.35 112.82 24.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -1.024 . . . . 0.0 109.408 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 p -125.94 27.17 6.42 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.426 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.42 141.75 16.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.039 -1.038 . . . . 0.0 110.808 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 13' ' ' PHE . 93.4 mt -64.38 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -51.85 -22.35 3.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.579 -0.701 . . . . 0.0 110.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.83 -38.21 79.67 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.201 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 43.6 pt -114.63 19.09 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.59 -0.694 . . . . 0.0 112.34 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.97 -30.37 69.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.927 -1.108 . . . . 0.0 110.555 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.65 -6.41 21.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.514 -0.741 . . . . 0.0 111.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 3.0 m-85 -58.74 144.37 43.94 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.116 -0.99 . . . . 0.0 110.712 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -104.49 176.02 5.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 110.192 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 64.0 mtt -60.65 -42.66 97.43 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.502 -0.749 . . . . 0.0 111.184 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -69.96 -39.44 76.0 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.52 -0.737 . . . . 0.0 110.968 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.66 -39.18 90.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.799 -0.563 . . . . 0.0 110.919 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 55' ' ' ARG . 17.3 tp -61.44 -17.39 54.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.589 -0.694 . . . . 0.0 111.401 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.23 72.33 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.192 -0.942 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -50.26 -28.43 7.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.326 -0.859 . . . . 0.0 110.985 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD23 HD11 ' A' ' 50' ' ' ILE . 3.2 tp -73.59 1.78 9.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.413 -0.804 . . . . 0.0 111.951 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 31.3 mtmt 79.02 4.62 2.34 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 123.452 0.701 . . . . 0.0 112.465 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.7 HD11 ' CE1' ' A' ' 26' ' ' PHE . 74.4 mt -77.5 143.39 68.19 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.051 -1.03 . . . . 0.0 110.098 178.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.54 165.78 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.755 1.397 . . . . 0.0 109.028 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.2 mt-10 -68.92 -20.44 64.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.139 -0.976 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.37 -36.32 79.89 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 122.207 1.004 . . . . 0.0 110.111 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.52 -4.29 27.01 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.869 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.634 ' HG2' HD23 ' A' ' 45' ' ' LEU . 4.1 mtt180 -71.31 -41.74 69.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.949 -1.094 . . . . 0.0 110.337 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -83.37 -28.92 28.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.857 . . . . 0.0 110.308 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.668 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.51 -47.91 68.6 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -75.59 -41.03 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.466 -0.771 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -59.89 -34.83 73.7 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.709 -0.619 . . . . 0.0 111.06 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.76 -40.03 86.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.423 -0.798 . . . . 0.0 110.606 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.0 -30.8 69.75 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.6 mm -60.6 -45.62 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.581 -0.952 . . . . 0.0 110.918 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.48 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.425 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 71.6 m-20 -56.63 -38.02 71.53 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.359 -0.838 . . . . 0.0 111.286 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.94 -40.06 87.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.345 -0.847 . . . . 0.0 110.541 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.0 -44.79 94.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.414 -0.804 . . . . 0.0 110.784 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' OE1' HD11 ' A' ' 63' ' ' LEU . 37.0 mt-30 -59.95 -37.32 79.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.555 -0.716 . . . . 0.0 111.087 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -29.88 67.04 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.536 -0.728 . . . . 0.0 111.205 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.85 118.63 19.64 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.551 -0.859 . . . . 0.0 110.656 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -69.88 140.16 53.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.679 -0.638 . . . . 0.0 109.673 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.146 -179.657 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 N--CA 1.488 1.152 0 N-CA-C 110.33 -0.681 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -134.38 160.03 39.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.659 -0.651 . . . . 0.0 109.987 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -119.98 136.54 54.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 110.223 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.12 39.0 3.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.688 -0.632 . . . . 0.0 109.7 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p -55.75 175.48 0.08 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.796 0.808 . . . . 0.0 111.645 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.2 mt -67.64 -38.29 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.968 -0.458 . . . . 0.0 111.362 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG22 HD21 ' A' ' 23' ' ' LEU . 95.0 t -50.83 -50.46 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.107 -0.996 . . . . 0.0 111.134 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.244 -0.91 . . . . 0.0 111.378 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.98 -50.03 75.34 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.334 -0.854 . . . . 0.0 111.241 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.63 -39.96 90.17 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.526 -0.734 . . . . 0.0 110.491 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.54 85.41 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.535 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.01 -27.67 67.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.68 . . . . 0.0 110.538 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -95.66 12.87 28.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.406 -0.809 . . . . 0.0 109.994 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.12 29.03 73.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.7 m -123.35 148.29 46.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.483 -1.01 . . . . 0.0 110.505 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.03 31.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.533 -0.73 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -116.73 -19.65 9.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.39 -0.819 . . . . 0.0 111.164 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -96.7 1.31 50.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HG22 ' A' ' 11' ' ' VAL . 33.8 tp -59.92 -40.22 88.14 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.253 -0.904 . . . . 0.0 111.062 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -54.56 -36.24 64.12 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.359 -0.838 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -63.83 -42.11 97.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.142 -0.974 . . . . 0.0 111.199 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -65.74 -42.76 90.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.242 -0.911 . . . . 0.0 109.956 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 p -64.64 -39.96 94.61 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.471 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -66.78 -18.85 65.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.652 -0.655 . . . . 0.0 111.221 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -100.99 -8.27 22.54 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 112.329 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.67 0.37 56.55 Favored Glycine 0 N--CA 1.501 3.009 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.825 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.686 HD23 ' CD ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -96.25 111.47 23.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.316 -1.108 . . . . 0.0 109.433 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 10' ' ' ILE . 68.6 p -131.38 21.27 4.77 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.538 -0.726 . . . . 0.0 112.481 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 82.2 p -139.95 150.66 44.78 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.723 -1.235 . . . . 0.0 110.595 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.6 -25.08 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.423 -0.798 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -69.92 -39.29 76.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 112.163 -178.174 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.686 ' CD ' HD23 ' A' ' 31' ' ' LEU . 7.9 pt20 -67.75 -23.74 65.27 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.049 -1.032 . . . . 0.0 110.688 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.2 pt -88.08 11.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 83.9 mt-10 -59.94 -37.37 79.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.266 -0.896 . . . . 0.0 112.031 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -104.5 -12.61 16.4 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.142 -0.974 . . . . 0.0 111.78 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -59.98 140.47 56.72 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -0.967 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 m -107.34 175.87 5.35 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 56' ' ' HIS . 92.8 mtp -60.17 -43.85 95.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.554 -0.716 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.53 -0.731 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -66.18 -33.01 74.8 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.489 0.661 . . . . 0.0 109.799 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 55' ' ' ARG . 29.9 tp -66.81 -30.84 71.13 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.803 -0.561 . . . . 0.0 111.616 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.27 72.05 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.126 -0.984 . . . . 0.0 110.311 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -50.24 -25.65 3.9 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.398 -0.814 . . . . 0.0 110.551 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -74.09 4.51 5.43 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.571 -0.706 . . . . 0.0 111.898 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 39.2 mtmt 74.96 9.7 3.94 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.822 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 48' ' ' LEU . 86.3 mt -78.61 141.56 60.59 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 120.991 -1.068 . . . . 0.0 109.775 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.14 170.18 18.82 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.738 1.388 . . . . 0.0 109.2 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.95 -28.67 65.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.058 -1.026 . . . . 0.0 110.216 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.96 -27.28 66.69 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.722 -0.611 . . . . 0.0 110.244 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -102.5 -9.56 20.1 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.517 -0.739 . . . . 0.0 111.075 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.632 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.8 mtm105 -70.03 -46.76 64.38 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.977 -1.077 . . . . 0.0 110.712 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB3' ' HE1' ' A' ' 42' ' ' MET . 29.5 p80 -81.53 -26.64 34.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.408 -0.807 . . . . 0.0 110.806 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -44.01 70.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.458 -0.776 . . . . 0.0 109.878 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.43 -42.03 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.493 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.0 t90 -60.01 -38.0 81.37 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.573 -0.704 . . . . 0.0 110.768 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.02 -40.12 88.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.538 -0.726 . . . . 0.0 110.851 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.69 69.59 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.8 mt -67.08 -40.06 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.46 -1.024 . . . . 0.0 110.997 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.0 -48.12 83.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.336 -0.852 . . . . 0.0 110.766 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.92 -39.56 85.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.477 -0.764 . . . . 0.0 110.675 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.55 -0.719 . . . . 0.0 110.401 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.56 -40.01 80.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.338 -0.851 . . . . 0.0 110.757 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.92 -40.36 96.28 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.307 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.8 pp -74.7 -32.68 62.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -101.8 116.73 33.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.571 -0.705 . . . . 0.0 110.146 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -119.32 136.15 54.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.504 -0.748 . . . . 0.0 109.946 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.583 -0.698 . . . . 0.0 110.154 179.887 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 N--CA 1.487 1.141 0 N-CA-C 110.602 -0.576 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.69 -40.06 90.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.1 117.39 34.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.534 -0.729 . . . . 0.0 109.556 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 34' ' ' ILE . 14.5 m -109.97 22.58 15.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.506 -0.747 . . . . 0.0 111.444 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -61.78 -165.15 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.199 -0.938 . . . . 0.0 110.588 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 26' ' ' PHE . 92.8 mt -69.94 -38.47 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.609 -0.682 . . . . 0.0 111.748 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 23' ' ' LEU . 65.8 t -54.43 -56.87 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.074 -1.016 . . . . 0.0 111.217 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -60.02 -40.05 87.93 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.213 -0.929 . . . . 0.0 111.32 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.808 ' HB2' HD11 ' A' ' 34' ' ' ILE . 79.8 t80 -59.95 -43.36 95.07 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.474 -0.766 . . . . 0.0 111.428 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.93 -39.99 87.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.356 -0.84 . . . . 0.0 110.64 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.2 90.2 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.562 -0.711 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -60.42 -27.93 67.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.812 -0.555 . . . . 0.0 110.568 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 27.0 tp -99.67 13.97 31.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.479 -0.763 . . . . 0.0 110.709 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.38 29.46 73.1 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.84 148.13 42.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.607 -0.937 . . . . 0.0 109.688 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 p -171.18 -35.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.411 -0.805 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.7 p -60.26 -21.66 62.14 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.475 -0.765 . . . . 0.0 110.967 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.76 0.0 57.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.249 -0.907 . . . . 0.0 110.848 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 11' ' ' VAL . 62.7 tp -60.02 -40.58 89.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.369 -0.832 . . . . 0.0 110.952 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.37 -37.39 67.46 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.34 -0.85 . . . . 0.0 112.104 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.54 -41.59 97.57 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.03 -1.044 . . . . 0.0 110.213 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD1' HD13 ' A' ' 10' ' ' ILE . 59.6 m-85 -65.18 -39.91 93.56 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.388 -0.82 . . . . 0.0 110.303 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -68.95 -39.94 79.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.679 -0.638 . . . . 0.0 110.281 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.7 m -65.38 -20.49 66.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 111.301 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -99.55 -4.7 30.57 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.192 -0.943 . . . . 0.0 112.638 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.43 73.63 Favored Glycine 0 N--CA 1.499 2.856 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.268 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.62 119.34 38.62 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -1.09 . . . . 0.0 109.433 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.448 ' CA ' HD12 ' A' ' 10' ' ' ILE . 1.8 p -125.37 -26.79 3.55 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.95 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.17 159.86 16.01 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.809 -1.182 . . . . 0.0 111.823 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 13' ' ' PHE . 98.2 mt -69.87 -31.59 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.843 -0.536 . . . . 0.0 110.402 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 37.4 m-85 -58.27 -26.79 63.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.428 -0.795 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -70.04 -34.28 73.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 109.249 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.6 pt -100.03 9.97 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.723 -0.61 . . . . 0.0 112.079 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.97 -35.44 74.98 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.957 -1.09 . . . . 0.0 110.48 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -94.45 -21.56 18.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.431 -0.793 . . . . 0.0 110.421 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 7.8 m-85 -60.83 134.08 56.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.06 -171.24 2.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.5 mtp -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.401 0.619 . . . . 0.0 109.739 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.1 -39.92 86.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.666 -0.646 . . . . 0.0 110.516 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.2 m-20 -64.34 -34.8 78.99 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.815 -0.553 . . . . 0.0 110.719 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 55' ' ' ARG . 60.2 tp -69.8 -26.46 64.27 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.576 -0.702 . . . . 0.0 110.997 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.18 84.48 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.236 -0.915 . . . . 0.0 110.013 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -54.35 -22.55 12.5 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.375 -0.828 . . . . 0.0 110.475 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.3 2.96 5.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.484 -0.76 . . . . 0.0 111.912 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 59.3 mttm 75.2 6.96 4.17 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 121.508 -0.745 . . . . 0.0 112.003 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 45' ' ' LEU . 79.1 mt -78.45 144.75 66.45 Favored Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 0.0 109.169 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.43 172.29 13.57 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 O-C-N 123.737 1.388 . . . . 0.0 109.241 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.01 -31.95 69.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.035 -1.04 . . . . 0.0 110.792 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -59.88 -22.83 62.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.588 -0.695 . . . . 0.0 110.22 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.52 -10.27 19.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 110.893 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 45' ' ' LEU . 13.9 mtm180 -71.12 -45.41 63.67 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.935 -1.103 . . . . 0.0 110.492 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.8 -28.91 40.18 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.534 -0.729 . . . . 0.0 110.851 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.57 71.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.557 -0.714 . . . . 0.0 110.372 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.55 -44.03 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.62 -0.675 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 1.9 t90 -60.04 -39.67 86.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.656 -0.653 . . . . 0.0 110.739 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.686 -0.634 . . . . 0.0 111.111 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.39 -29.81 74.58 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.6 mt -63.26 -37.77 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.549 -0.971 . . . . 0.0 110.415 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.99 -46.87 88.06 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.356 -0.84 . . . . 0.0 110.082 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.562 -0.712 . . . . 0.0 110.423 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -60.0 -41.79 92.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.371 -0.831 . . . . 0.0 110.113 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.83 -38.4 90.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.776 -0.578 . . . . 0.0 110.787 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -35.76 75.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.495 -0.753 . . . . 0.0 111.288 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -39.52 76.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.503 -0.748 . . . . 0.0 110.704 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -109.48 111.06 22.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.518 -0.739 . . . . 0.0 110.493 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.54 130.3 52.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.657 -0.652 . . . . 0.0 109.824 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.519 -0.738 . . . . 0.0 110.038 -179.638 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo . . . . . 0 N--CA 1.487 1.109 0 N-CA-C 110.221 -0.723 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 m -101.11 134.3 44.34 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.499 -0.751 . . . . 0.0 109.918 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -129.26 174.37 9.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.611 -0.68 . . . . 0.0 110.301 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' THR . 46.4 t 55.12 56.2 6.78 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.577 -0.702 . . . . 0.0 111.1 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 1.8 p -163.38 158.12 20.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 108.955 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 99.0 mt -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.286 -0.884 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 23' ' ' LEU . 81.2 t -56.38 -45.79 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.487 -0.758 . . . . 0.0 110.484 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -60.21 -43.66 95.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.443 -0.785 . . . . 0.0 111.549 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.471 -0.768 . . . . 0.0 111.331 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.83 -40.1 94.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.539 -0.726 . . . . 0.0 110.671 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.8 93.93 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.374 -0.829 . . . . 0.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -60.63 -27.78 68.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.653 -0.655 . . . . 0.0 110.244 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 tp -96.07 11.13 35.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.444 -0.785 . . . . 0.0 109.998 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.95 30.1 72.36 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -125.12 146.31 49.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.598 -0.942 . . . . 0.0 111.097 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.15 28.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.233 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -111.15 -18.82 12.9 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.476 -0.765 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.01 4.27 54.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.303 -0.873 . . . . 0.0 111.242 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 11' ' ' VAL . 65.9 tp -58.98 -41.08 86.71 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.993 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -55.28 -37.59 67.49 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.157 -0.964 . . . . 0.0 112.829 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -65.12 -40.59 94.68 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.014 -1.054 . . . . 0.0 111.499 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 83.5 m-85 -69.97 -40.06 75.62 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.326 -0.859 . . . . 0.0 110.465 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -64.82 -45.34 86.6 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.572 -0.705 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.08 -14.14 61.23 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.494 -0.754 . . . . 0.0 111.414 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -101.11 -10.24 20.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.042 -1.036 . . . . 0.0 112.344 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.37 3.64 56.45 Favored Glycine 0 N--CA 1.499 2.873 0 C-N-CA 119.964 -1.112 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 36' ' ' GLN . 4.2 mp -100.35 114.25 27.61 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.223 -1.163 . . . . 0.0 109.317 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -114.94 -20.35 10.57 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 119.602 -0.839 . . . . 0.0 112.151 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -111.52 159.74 17.82 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.994 -1.066 . . . . 0.0 112.138 -178.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.1 -30.96 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.224 0.535 . . . . 0.0 110.146 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.433 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 30.8 m-85 -58.12 -25.07 60.93 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.717 -0.614 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.6 mm100 -69.98 -30.64 68.03 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 62' ' ' ILE . 30.6 pt -103.01 5.41 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.638 -0.664 . . . . 0.0 112.233 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 41.7 mm-40 -60.34 -34.46 73.88 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.904 -1.123 . . . . 0.0 111.182 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -91.81 -24.89 19.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.385 -0.822 . . . . 0.0 111.091 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 19.7 m-85 -59.8 136.25 57.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.584 -0.698 . . . . 0.0 110.777 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 m -98.25 -174.34 2.82 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.412 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 96.2 mtp -62.72 -39.96 95.69 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.364 -0.835 . . . . 0.0 110.86 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -68.8 -40.04 79.79 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 87.5 m-20 -62.72 -36.96 84.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.913 -0.492 . . . . 0.0 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 55' ' ' ARG . 23.3 tp -64.44 -35.01 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.527 -0.733 . . . . 0.0 110.756 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -53.56 -47.04 70.43 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.9 p -50.36 -27.34 6.12 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.459 -0.776 . . . . 0.0 110.845 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -76.86 14.69 0.79 Allowed 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.298 -0.876 . . . . 0.0 112.648 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 94.1 mttt 78.84 0.02 2.44 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 124.081 0.952 . . . . 0.0 112.183 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 mt -78.4 140.77 60.64 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.122 . . . . 0.0 109.242 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.65 173.32 14.1 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.659 1.347 . . . . 0.0 109.101 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -70.03 -22.43 63.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.041 -1.037 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.424 -0.797 . . . . 0.0 110.105 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -99.63 0.04 41.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 110.396 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.666 ' HD2' ' HB2' ' A' ' 46' ' ' ALA . 12.3 mtp180 -74.99 -40.48 60.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.87 -1.144 . . . . 0.0 110.163 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -82.76 -31.86 28.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.493 -0.754 . . . . 0.0 110.305 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -45.55 67.96 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.12 -47.41 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.753 -0.592 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.1 t90 -59.97 -38.21 81.86 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.494 -0.754 . . . . 0.0 111.512 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.11 -40.09 88.46 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.38 -0.825 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.76 69.85 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 37' ' ' ILE . 88.8 mt -67.28 -39.21 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.528 -0.984 . . . . 0.0 110.672 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.87 -48.94 79.67 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.39 -0.819 . . . . 0.0 110.574 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -60.41 -40.82 92.34 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.336 -0.852 . . . . 0.0 110.495 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -62.45 -34.76 77.44 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 110.651 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -59.88 -36.18 76.39 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.685 -0.634 . . . . 0.0 111.337 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.79 HD11 ' CE1' ' A' ' 69' ' ' HIS . 1.1 pp -68.42 -28.43 67.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.264 -0.897 . . . . 0.0 110.367 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.79 ' CE1' HD11 ' A' ' 68' ' ' LEU . 55.5 m80 -91.12 138.61 31.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.418 -0.801 . . . . 0.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.57 146.85 44.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.661 -0.649 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.499 -0.75 . . . . 0.0 109.721 179.374 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.489 1.217 0 N-CA-C 110.515 -0.61 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -120.01 130.04 54.55 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.679 -0.638 . . . . 0.0 110.064 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -89.26 125.85 35.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.584 -0.698 . . . . 0.0 110.188 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.58 26.44 6.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.675 -0.641 . . . . 0.0 109.886 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -58.17 171.47 0.55 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.492 -0.755 . . . . 0.0 110.965 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.0 mt -66.95 -36.79 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.88 -0.513 . . . . 0.0 111.383 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG22 HD21 ' A' ' 23' ' ' LEU . 65.1 t -50.06 -54.95 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.124 -0.985 . . . . 0.0 111.749 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -60.04 -40.03 87.95 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 111.611 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.97 -48.55 81.24 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.289 -0.882 . . . . 0.0 111.489 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 23' ' ' LEU . 91.6 mt -60.16 -39.88 87.96 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.339 -0.851 . . . . 0.0 110.45 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.76 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.546 -0.721 . . . . 0.0 109.791 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -60.07 -30.47 69.25 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.732 -0.605 . . . . 0.0 110.038 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 57' ' ' ALA . 14.3 tp -93.8 15.17 17.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.607 -0.683 . . . . 0.0 109.906 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.5 27.92 72.45 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.17 144.9 50.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -1.025 . . . . 0.0 110.656 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.73 32.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.6 -0.688 . . . . 0.0 109.48 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -109.82 -25.22 10.45 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.602 -0.687 . . . . 0.0 110.919 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -95.5 1.55 54.01 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.455 -0.778 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 HD12 ' A' ' 14' ' ' LEU . 41.1 tp -59.94 -40.33 88.57 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.314 -0.866 . . . . 0.0 110.64 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -51.43 -34.52 35.33 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.835 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -68.05 -39.96 82.91 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.174 -0.954 . . . . 0.0 111.084 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' A' ' 50' ' ' ILE . 78.1 m-85 -66.45 -44.43 82.85 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.217 -0.927 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 28' ' ' THR . 9.1 t -68.71 -39.99 80.21 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.719 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.405 ' N ' HG23 ' A' ' 27' ' ' THR . 63.4 m -66.16 -19.66 65.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.581 -0.7 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -99.85 -5.12 29.02 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.223 -0.923 . . . . 0.0 111.98 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.63 -4.95 64.17 Favored Glycine 0 N--CA 1.5 2.917 0 O-C-N 120.982 -1.074 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 5.5 mp -91.52 111.31 22.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -1.158 . . . . 0.0 109.468 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 45.0 p -132.3 29.43 4.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.663 -0.648 . . . . 0.0 111.013 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 p -148.5 151.46 35.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.203 -0.936 . . . . 0.0 110.408 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.486 -0.758 . . . . 0.0 109.782 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -53.34 -25.39 14.98 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.552 -0.718 . . . . 0.0 110.712 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.03 -33.82 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.611 -0.681 . . . . 0.0 109.883 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 pt -102.08 5.89 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.495 -0.753 . . . . 0.0 112.417 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.01 -37.77 80.7 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.882 -1.136 . . . . 0.0 111.345 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -95.58 -21.15 18.43 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.277 -0.889 . . . . 0.0 111.26 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -61.64 140.02 58.21 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.391 -0.818 . . . . 0.0 110.464 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -99.86 -175.68 3.03 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 109.619 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.7 mtp -61.58 -41.37 97.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.654 -0.654 . . . . 0.0 110.738 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.14 -40.0 82.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.345 -0.847 . . . . 0.0 110.701 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.67 -37.49 84.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.743 -0.598 . . . . 0.0 110.804 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' A' ' 55' ' ' ARG . 33.6 tp -65.47 -23.28 66.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.551 -0.718 . . . . 0.0 111.002 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.26 83.91 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.113 -0.992 . . . . 0.0 110.346 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.0 p -51.52 -23.08 3.68 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.373 -0.829 . . . . 0.0 111.023 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD23 HD11 ' A' ' 50' ' ' ILE . 15.1 tp -74.88 8.88 2.17 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.199 -0.938 . . . . 0.0 112.301 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mtpt 78.32 -0.16 2.59 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 123.624 0.77 . . . . 0.0 112.14 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 48' ' ' LEU . 86.4 mt -76.94 134.35 68.43 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.022 -1.049 . . . . 0.0 109.571 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.43 169.65 16.64 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 O-C-N 123.61 1.321 . . . . 0.0 109.555 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 86.4 tt0 -67.08 -21.89 65.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.262 -0.899 . . . . 0.0 111.164 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.99 -35.5 75.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.408 -0.808 . . . . 0.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -101.0 -2.58 31.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.405 -0.809 . . . . 0.0 111.287 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' A' ' 45' ' ' LEU . 21.3 mtm180 -70.0 -43.67 70.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.928 -1.107 . . . . 0.0 109.536 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -81.85 -23.26 36.5 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -70.07 -47.36 62.26 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.365 -0.834 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.34 -39.93 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.772 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.541 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.3 t90 -60.69 -40.05 90.77 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 111.219 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.467 -0.771 . . . . 0.0 110.377 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.28 69.61 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.9 mt -64.43 -40.17 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.167 -1.196 . . . . 0.0 111.456 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.05 -51.32 70.15 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.958 -1.089 . . . . 0.0 110.802 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -60.02 -39.17 84.93 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.509 -0.745 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 86.3 t60 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.716 -0.615 . . . . 0.0 110.382 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -69.88 -37.21 75.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.464 -0.773 . . . . 0.0 112.039 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.68 -39.64 85.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.601 -0.687 . . . . 0.0 111.87 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp -70.01 -26.95 64.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.108 -0.995 . . . . 0.0 110.511 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -131.67 109.39 10.16 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.415 -0.803 . . . . 0.0 109.78 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -70.34 139.5 52.02 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 109.953 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 t80 . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.663 -0.648 . . . . 0.0 110.064 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 N-CA-C 110.48 -0.623 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -70.0 -19.75 63.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.584 -0.697 . . . . 0.0 110.634 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -112.35 121.14 44.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.323 -0.861 . . . . 0.0 110.402 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.8 t -155.76 49.89 0.53 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 24.5 p -59.39 170.13 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.849 0.833 . . . . 0.0 111.725 -177.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.1 mt -68.84 -35.88 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.201 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 23' ' ' LEU . 64.1 t -50.08 -56.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 121.198 -0.939 . . . . 0.0 111.575 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.423 -0.798 . . . . 0.0 111.679 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.94 -48.72 80.55 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.358 -0.839 . . . . 0.0 111.678 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.96 -37.54 79.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.85 91.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.391 -0.818 . . . . 0.0 109.714 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.5 -23.74 64.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.579 -0.701 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 57' ' ' ALA . 16.0 tp -102.59 14.65 31.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.77 28.94 74.1 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -119.23 147.07 44.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.565 -0.962 . . . . 0.0 109.704 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 -36.8 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.366 -0.833 . . . . 0.0 110.087 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.0 m -52.32 -23.96 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.576 -0.703 . . . . 0.0 111.783 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.29 0.07 56.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.152 -0.967 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD11 HG22 ' A' ' 11' ' ' VAL . 41.1 tp -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.232 -0.917 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.05 -34.61 30.54 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.447 -0.783 . . . . 0.0 111.84 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -68.19 -39.9 82.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.123 -0.986 . . . . 0.0 111.066 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -66.2 -41.27 90.4 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.188 -0.945 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -65.04 -40.02 94.2 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -66.36 -18.3 65.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.757 -0.589 . . . . 0.0 111.263 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.15 -11.64 19.41 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.114 -0.991 . . . . 0.0 112.068 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.01 10.72 59.53 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -104.29 118.22 36.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.4 p -125.5 -25.57 3.71 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.928 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 34.9 p -98.9 146.82 25.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.977 -1.077 . . . . 0.0 111.676 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 8' ' ' CYS . 96.5 mt -62.04 -39.96 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.767 -0.583 . . . . 0.0 109.711 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -51.43 -24.91 5.46 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.521 -0.737 . . . . 0.0 111.014 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.586 ' HB3' HD23 ' A' ' 31' ' ' LEU . 6.9 mm100 -69.02 -38.97 79.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.437 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 39.5 pt -100.81 5.56 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.664 -0.648 . . . . 0.0 112.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 -32.74 71.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.957 -1.089 . . . . 0.0 110.474 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.9 -23.69 18.0 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.525 -0.735 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 22.7 m-85 -58.76 143.03 48.42 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 m -99.26 176.05 5.67 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.05 -42.9 95.44 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.17 -39.97 92.12 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.58 -32.77 74.32 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.778 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.792 HD23 ' HG2' ' A' ' 55' ' ' ARG . 47.0 tp -67.04 -39.95 87.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.776 -0.578 . . . . 0.0 110.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -55.94 -49.5 73.32 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -51.1 -24.3 3.89 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.274 -0.891 . . . . 0.0 110.823 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 2.5 tp -76.97 13.79 0.99 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.348 -0.845 . . . . 0.0 112.183 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 88.4 mttt 79.55 -0.91 2.2 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 124.201 1.0 . . . . 0.0 111.848 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 45' ' ' LEU . 53.3 mt -78.21 132.62 66.15 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.015 -1.053 . . . . 0.0 109.478 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.52 153.56 76.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 O-C-N 123.752 1.396 . . . . 0.0 109.538 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 20.5 pt-20 -66.34 -15.27 63.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.064 -1.022 . . . . 0.0 111.557 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -60.12 -37.22 79.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.147 -0.971 . . . . 0.0 109.712 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.95 3.15 44.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 110.52 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.792 ' HG2' HD23 ' A' ' 45' ' ' LEU . 16.6 mtp180 -70.59 -48.11 56.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.981 -1.074 . . . . 0.0 110.068 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -81.68 -29.13 33.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 109.975 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.611 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.83 -47.41 78.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.767 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.85 -40.26 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.601 -0.687 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.717 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.9 t90 -60.0 -36.07 76.4 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.389 -0.819 . . . . 0.0 110.92 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.89 -40.13 87.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.453 -0.779 . . . . 0.0 110.877 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.2 76.55 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 59' ' ' TRP . 88.6 mt -65.45 -37.41 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.546 -0.973 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -49.44 77.66 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.281 -0.887 . . . . 0.0 110.05 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -59.92 -37.66 80.13 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 110.114 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.462 ' HA ' HD21 ' A' ' 68' ' ' LEU . 80.3 t60 -60.04 -39.91 87.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.606 -0.684 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -71.57 -39.95 70.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.488 -0.758 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.675 -0.641 . . . . 0.0 112.084 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.5 pp -70.7 -30.26 66.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.042 -1.036 . . . . 0.0 110.18 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -116.5 109.38 17.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.385 -0.822 . . . . 0.0 109.571 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -68.71 -39.98 80.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.565 -0.709 . . . . 0.0 111.005 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 . . . . . 0 N--CA 1.499 2.009 0 O-C-N 121.753 -0.592 . . . . 0.0 110.098 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo . . . . . 0 N--CA 1.486 1.035 0 N-CA-C 110.265 -0.706 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -66.99 -44.62 79.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.497 -0.752 . . . . 0.0 110.181 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 49.32 83.73 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 111.731 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 m -90.64 14.85 12.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -0.807 . . . . 0.0 110.623 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 80.6 p -61.0 170.04 1.73 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.118 -0.989 . . . . 0.0 111.809 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 26' ' ' PHE . 86.6 mt -70.09 -21.68 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.755 -0.591 . . . . 0.0 110.654 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 23' ' ' LEU . 91.0 t -63.33 -56.01 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.815 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 110.98 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' A' ' 58' ' ' ILE . 87.8 t80 -59.96 -48.24 82.52 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.409 -0.807 . . . . 0.0 110.686 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.92 -40.11 87.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.499 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.5 96.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.01 -30.82 69.4 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.896 -0.502 . . . . 0.0 110.025 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 17' ' ' LEU . 19.3 tp -92.27 15.4 13.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.659 -0.651 . . . . 0.0 110.043 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.92 26.62 69.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.3 m -124.84 134.8 52.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.55 -0.97 . . . . 0.0 110.775 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -151.87 21.7 0.69 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.506 -0.746 . . . . 0.0 110.195 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -100.04 -19.43 16.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.337 -0.852 . . . . 0.0 111.103 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -97.09 1.84 50.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.308 -0.87 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 11' ' ' VAL . 61.7 tp -58.81 -41.09 85.97 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.265 -0.897 . . . . 0.0 110.384 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.19 -36.96 61.52 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.418 -0.801 . . . . 0.0 111.814 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 87.8 m-85 -64.25 -43.17 95.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.069 -1.019 . . . . 0.0 111.484 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD1' HD13 ' A' ' 10' ' ' ILE . 75.4 m-85 -69.83 -41.11 75.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.082 -1.011 . . . . 0.0 111.571 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 28' ' ' THR . 9.0 t -69.75 -39.96 76.42 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.015 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 27' ' ' THR . 86.3 m -65.85 -20.9 66.4 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.636 -0.665 . . . . 0.0 110.697 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -98.62 -7.29 28.29 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.217 -0.927 . . . . 0.0 112.048 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.28 -2.02 67.78 Favored Glycine 0 N--CA 1.5 2.905 0 C-N-CA 120.01 -1.09 . . . . 0.0 110.49 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -89.55 112.39 23.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.406 -1.055 . . . . 0.0 108.816 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 33' ' ' THR . 76.3 p -127.58 30.48 5.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.633 -0.667 . . . . 0.0 111.816 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -158.87 148.17 18.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 110.882 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.96 -38.71 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -52.31 -22.88 4.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.617 -0.677 . . . . 0.0 110.83 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.88 -34.63 73.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.492 -0.755 . . . . 0.0 109.226 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.96 16.73 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.66 -0.65 . . . . 0.0 112.276 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.97 -34.95 73.98 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -100.21 -14.63 18.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.447 -0.783 . . . . 0.0 110.828 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.2 144.22 50.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.278 -0.889 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -102.97 177.45 4.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 109.954 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.02 -40.95 91.07 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.505 -0.747 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -67.31 -40.0 85.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.498 -0.751 . . . . 0.0 110.419 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.5 -37.51 87.79 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.338 0.59 . . . . 0.0 110.704 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD23 ' HG2' ' A' ' 55' ' ' ARG . 39.5 tp -66.59 -26.51 67.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.593 -0.692 . . . . 0.0 111.003 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.92 70.6 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.271 -0.893 . . . . 0.0 110.165 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.2 p -52.33 -24.65 7.92 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.316 -0.865 . . . . 0.0 110.473 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 50' ' ' ILE . 6.0 tp -74.4 3.8 6.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.521 -0.737 . . . . 0.0 111.657 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 7.6 mtmt 80.01 5.61 1.84 Allowed 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 123.449 0.7 . . . . 0.0 111.769 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.548 ' CD1' HD11 ' A' ' 45' ' ' LEU . 67.4 mt -77.53 144.23 69.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.991 -1.068 . . . . 0.0 109.883 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -79.96 160.43 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 O-C-N 123.641 1.337 . . . . 0.0 109.227 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 86.4 tt0 -63.08 -28.65 70.23 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.099 -1.0 . . . . 0.0 110.272 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -59.95 -31.42 69.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.625 -0.672 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.63 -14.56 18.1 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.731 -0.606 . . . . 0.0 110.998 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.698 ' HG2' HD23 ' A' ' 45' ' ' LEU . 26.7 mtm180 -68.67 -44.1 74.77 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 17.7 p80 -81.04 -26.41 36.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.275 -0.89 . . . . 0.0 110.965 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.98 70.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.359 -0.838 . . . . 0.0 109.827 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' HE2' ' A' ' 13' ' ' PHE . 86.2 mt -72.19 -41.64 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.609 -0.682 . . . . 0.0 110.297 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.816 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.6 t90 -60.02 -38.73 83.56 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.555 -0.715 . . . . 0.0 111.061 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 0.0 110.7 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.45 -31.29 73.77 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.9 mt -64.41 -38.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.937 . . . . 0.0 110.639 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.09 -48.62 80.97 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.308 -0.87 . . . . 0.0 110.451 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -59.95 -40.01 87.52 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.458 -0.776 . . . . 0.0 110.628 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HA ' HD23 ' A' ' 68' ' ' LEU . 85.7 t60 -60.03 -44.57 94.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.498 -0.751 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -62.16 -40.05 94.72 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.43 -39.98 89.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.816 -0.553 . . . . 0.0 112.023 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -70.07 -30.73 68.04 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.212 -0.93 . . . . 0.0 110.747 -178.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -60.13 -39.91 87.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.466 -0.771 . . . . 0.0 110.074 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -106.91 139.94 40.51 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.629 -0.67 . . . . 0.0 110.556 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.646 -0.659 . . . . 0.0 109.997 179.763 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo . . . . . 0 N--CA 1.486 1.069 0 N-CA-C 110.358 -0.67 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -105.58 133.31 50.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.608 -0.682 . . . . 0.0 110.083 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 52.76 45.37 28.84 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 111.016 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.8 t -72.97 68.13 0.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.559 -0.713 . . . . 0.0 109.319 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -61.91 -169.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.751 -0.593 . . . . 0.0 111.001 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.03 -23.28 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.619 -0.675 . . . . 0.0 110.994 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -63.95 -57.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.256 -0.903 . . . . 0.0 109.312 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 m -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.712 -0.618 . . . . 0.0 111.339 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -59.33 -48.79 80.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 111.238 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.34 -40.01 93.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 110.56 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.26 86.55 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.427 -0.796 . . . . 0.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -59.97 -29.47 68.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.712 -0.618 . . . . 0.0 110.326 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 57' ' ' ALA . 15.8 tp -94.91 15.28 19.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.484 -0.76 . . . . 0.0 110.342 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.89 73.53 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.5 m -120.92 141.15 50.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.489 -1.007 . . . . 0.0 110.503 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.29 34.33 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.465 -0.772 . . . . 0.0 109.313 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.07 -25.79 7.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.534 -0.729 . . . . 0.0 110.884 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.3 m -95.92 6.58 48.53 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.372 -0.83 . . . . 0.0 111.481 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.43 -39.99 81.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.243 -0.911 . . . . 0.0 109.943 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.92 -39.53 74.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.51 -0.744 . . . . 0.0 112.404 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -62.08 -42.62 99.39 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.878 -1.139 . . . . 0.0 111.013 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.15 -40.0 93.78 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -67.99 -39.96 83.17 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.246 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -65.3 -20.08 66.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.688 . . . . 0.0 111.336 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -100.91 -7.99 22.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.113 -0.992 . . . . 0.0 112.25 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.45 57.49 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.985 -1.072 . . . . 0.0 110.844 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.18 112.02 23.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.257 -1.143 . . . . 0.0 109.755 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -129.66 25.98 5.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.521 -0.737 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -149.58 147.52 28.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.144 -0.972 . . . . 0.0 110.315 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.2 -27.78 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 110.257 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 27.8 m-85 -59.98 -28.6 67.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.54 -0.725 . . . . 0.0 110.318 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 9.1 mm100 -69.98 -31.28 68.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.553 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 62' ' ' ILE . 29.4 pt -101.84 11.23 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.293 -0.879 . . . . 0.0 112.35 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 78.1 mt-10 -59.96 -38.73 83.32 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.908 -1.12 . . . . 0.0 112.125 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -101.77 -8.76 21.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.022 -1.049 . . . . 0.0 111.513 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 14.2 m-85 -60.7 137.96 58.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.218 -0.926 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -100.71 176.17 5.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.636 . . . . 0.0 109.549 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.17 -39.98 88.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.426 -0.796 . . . . 0.0 110.417 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -69.08 -39.97 78.74 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.519 -0.738 . . . . 0.0 110.656 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.91 -38.3 90.42 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.77 -0.581 . . . . 0.0 111.123 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.616 ' HG ' HD12 ' A' ' 50' ' ' ILE . 35.2 tp -65.08 -22.78 67.01 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.521 -0.737 . . . . 0.0 110.749 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.44 -47.26 76.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.232 -0.917 . . . . 0.0 110.067 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -51.48 -25.51 6.62 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.4 -0.812 . . . . 0.0 110.205 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.06 1.95 8.02 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.636 -0.665 . . . . 0.0 111.821 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 36.4 mtmt 79.56 5.93 2.0 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.501 0.72 . . . . 0.0 112.018 179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.616 HD12 ' HG ' ' A' ' 45' ' ' LEU . 84.2 mt -77.53 134.26 66.17 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.107 -0.995 . . . . 0.0 110.053 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.71 166.79 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 N-CA-C 108.621 -1.338 . . . . 0.0 108.621 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.6 mt-10 -66.21 -27.79 68.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.991 -1.068 . . . . 0.0 110.778 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -30.43 69.43 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.543 -0.723 . . . . 0.0 110.141 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.54 -17.54 17.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.4 mtm180 -65.78 -40.01 91.55 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.116 -0.99 . . . . 0.0 110.947 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 20.0 p80 -81.64 -30.66 32.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.259 -0.901 . . . . 0.0 111.513 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.201 -0.937 . . . . 0.0 110.381 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.36 -44.0 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.7 -0.625 . . . . 0.0 110.98 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.8 t90 -60.1 -40.49 89.83 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.355 -0.841 . . . . 0.0 112.33 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -59.95 -39.58 86.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 111.469 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.82 -29.13 72.63 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.5 mt -68.41 -40.67 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.345 -1.091 . . . . 0.0 111.325 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -48.82 80.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.26 -0.9 . . . . 0.0 110.586 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.633 -0.667 . . . . 0.0 111.021 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.97 -41.4 91.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -60.03 -42.77 95.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.632 -0.668 . . . . 0.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -33.06 71.5 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.72 -0.612 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -34.86 74.06 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.698 -0.626 . . . . 0.0 110.425 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.19 121.32 44.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.444 -0.785 . . . . 0.0 110.413 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.94 130.1 55.45 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.513 -0.742 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 110.046 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.816 0.341 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.4 p -61.28 177.13 0.39 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.321 -0.862 . . . . 0.0 111.243 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.57 -34.32 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.91 -0.493 . . . . 0.0 111.12 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.2 t -51.42 -56.73 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 O-C-N 121.107 -0.996 . . . . 0.0 111.123 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -59.95 -39.37 85.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.423 -0.798 . . . . 0.0 110.938 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.92 -40.83 90.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.509 -0.745 . . . . 0.0 111.476 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.265 -0.897 . . . . 0.0 110.483 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.0 94.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.47 -0.769 . . . . 0.0 109.513 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.0 -32.18 70.62 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.216 0.532 . . . . 0.0 110.265 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.5 tp -92.73 13.97 18.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.555 -0.716 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.51 72.7 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -126.53 144.23 50.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.451 -1.029 . . . . 0.0 111.023 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -161.13 28.23 0.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.577 -0.702 . . . . 0.0 110.098 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -110.76 -19.72 12.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.457 -0.777 . . . . 0.0 111.53 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.2 m -95.07 -0.03 53.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.185 -0.947 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.99 -40.13 88.11 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.225 -0.922 . . . . 0.0 110.683 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -53.6 -38.52 64.05 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.217 -0.927 . . . . 0.0 112.302 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.823 -1.173 . . . . 0.0 110.094 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 50' ' ' ILE . 59.3 m-85 -65.13 -40.0 93.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.404 -0.81 . . . . 0.0 110.774 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -62.08 -48.51 79.89 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.69 -0.631 . . . . 0.0 111.037 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 29' ' ' GLN . 6.4 t -68.83 -9.7 52.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.322 -0.862 . . . . 0.0 111.74 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 28' ' ' THR . 25.5 mm-40 -98.33 -14.14 20.36 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.941 -1.099 . . . . 0.0 111.623 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.98 52.31 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' GLN . 1.3 mp -109.25 116.5 32.01 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.362 -1.081 . . . . 0.0 109.517 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -134.33 29.83 3.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.518 -0.739 . . . . 0.0 111.862 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.3 p -149.5 143.03 25.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.055 -1.028 . . . . 0.0 110.805 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.23 -31.07 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -60.01 -26.28 65.95 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.647 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.0 mm100 -69.96 -26.88 64.32 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.532 -0.73 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.443 HD12 HD11 ' A' ' 62' ' ' ILE . 44.8 pt -109.29 11.53 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.47 -0.768 . . . . 0.0 112.476 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.883 -1.136 . . . . 0.0 112.299 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -8.96 20.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.034 -1.041 . . . . 0.0 112.287 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -60.09 140.09 57.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.158 -0.964 . . . . 0.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 t -100.73 -176.61 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.645 -0.659 . . . . 0.0 109.52 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.5 mtp -64.36 -40.94 96.83 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.78 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.28 -39.92 78.09 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.129 -0.982 . . . . 0.0 111.248 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.83 -33.93 77.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.706 -0.621 . . . . 0.0 110.174 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 55' ' ' ARG . 8.2 tt -65.81 -24.22 66.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.602 -0.686 . . . . 0.0 110.768 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.74 86.7 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.283 -0.886 . . . . 0.0 110.406 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -50.61 -23.45 2.58 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.178 -0.951 . . . . 0.0 110.919 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 50' ' ' ILE . 5.5 tp -73.53 5.66 3.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.427 -0.796 . . . . 0.0 112.456 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 92.0 mttt 76.78 2.03 3.31 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 123.652 0.781 . . . . 0.0 112.095 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 48' ' ' LEU . 94.2 mt -77.28 137.61 64.45 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.952 -1.092 . . . . 0.0 109.651 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 44.4 Cg_endo -57.87 165.48 6.54 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 O-C-N 123.561 1.295 . . . . 0.0 110.323 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 99.2 mt-10 -70.0 -34.89 73.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.021 -1.049 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.01 -20.86 60.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.539 -0.725 . . . . 0.0 110.438 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 51' ' ' PRO . 11.6 m-85 -96.46 -6.91 36.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 110.769 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG2' HD22 ' A' ' 45' ' ' LEU . 63.7 mtm180 -69.97 -40.76 75.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.033 -1.042 . . . . 0.0 109.666 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -76.14 -34.2 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.73 -0.606 . . . . 0.0 110.487 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.91 51.71 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.555 -0.715 . . . . 0.0 111.243 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.78 -45.41 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.396 -0.815 . . . . 0.0 111.05 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.2 t90 -59.95 -39.45 85.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.538 -0.727 . . . . 0.0 111.465 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.0 -40.18 88.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.595 -0.69 . . . . 0.0 111.042 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.18 -30.91 73.97 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.1 mt -66.68 -40.02 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -1.0 . . . . 0.0 110.625 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.99 -48.86 79.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.52 -36.32 73.66 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.666 -0.646 . . . . 0.0 110.711 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.92 -40.67 89.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.39 -0.819 . . . . 0.0 110.053 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.5 -42.24 98.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.723 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.06 -37.81 80.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.504 -0.748 . . . . 0.0 111.481 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 111.739 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.044 0.45 . . . . 0.0 109.794 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 82.9 p -58.77 159.35 6.89 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 122.001 0.905 . . . . 0.0 111.484 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.79 -25.74 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.6 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.752 HG22 HD11 ' A' ' 23' ' ' LEU . 94.4 t -60.06 -51.48 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.273 -0.892 . . . . 0.0 109.907 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -60.95 -40.01 91.68 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.348 -0.845 . . . . 0.0 110.874 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -60.1 -40.96 91.47 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.539 -0.726 . . . . 0.0 111.384 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 HD13 ' A' ' 23' ' ' LEU . 94.7 mt -62.8 -41.65 99.37 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.519 -0.738 . . . . 0.0 110.579 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.62 94.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.511 -0.743 . . . . 0.0 110.017 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.88 -29.48 70.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.68 -0.637 . . . . 0.0 109.58 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 57' ' ' ALA . 29.1 tp -97.38 10.56 39.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.709 -0.62 . . . . 0.0 110.213 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.05 25.68 74.31 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -115.47 158.46 22.52 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.496 -1.003 . . . . 0.0 109.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.369 -0.832 . . . . 0.0 110.718 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -64.79 -20.02 66.14 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.335 -0.853 . . . . 0.0 111.341 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.55 0.39 57.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.198 -0.938 . . . . 0.0 110.994 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD11 HG22 ' A' ' 11' ' ' VAL . 42.2 tp -58.37 -40.08 81.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.336 -0.852 . . . . 0.0 110.997 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.02 -35.92 48.46 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.298 -0.876 . . . . 0.0 111.823 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.24 -40.09 95.31 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.351 -0.843 . . . . 0.0 111.181 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -69.87 -40.05 75.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.339 -0.851 . . . . 0.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p -69.63 -41.54 75.5 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.788 -0.57 . . . . 0.0 111.092 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -67.54 -17.62 64.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.51 -0.744 . . . . 0.0 111.389 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -98.9 -6.82 28.22 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.12 -0.987 . . . . 0.0 112.375 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.68 6.82 63.6 Favored Glycine 0 N--CA 1.499 2.841 0 C-N-CA 120.032 -1.08 . . . . 0.0 110.555 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.98 115.17 29.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.43 -1.041 . . . . 0.0 109.658 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -132.09 23.3 4.52 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.83 -0.748 . . . . 0.0 112.409 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -145.34 153.13 40.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.577 -1.327 . . . . 0.0 110.808 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 tt -70.3 -33.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.606 -0.684 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -60.03 -39.95 87.69 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' THR . 7.3 pt20 -69.92 -19.2 63.4 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.78 -1.2 . . . . 0.0 110.903 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.8 pt -99.67 3.39 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.253 -0.904 . . . . 0.0 111.376 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.938 -1.101 . . . . 0.0 111.21 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.91 -20.88 17.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.777 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 20.6 m-85 -60.6 138.69 58.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -109.11 -168.15 1.3 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.4 -0.812 . . . . 0.0 109.794 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.8 -42.37 97.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.808 . . . . 0.0 110.801 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -62.87 -49.51 74.58 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.576 -0.703 . . . . 0.0 111.331 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.4 m-20 -61.59 -35.61 78.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.871 -0.518 . . . . 0.0 110.703 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 55' ' ' ARG . 28.4 tp -70.01 -27.52 64.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 110.101 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.61 88.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.363 -0.836 . . . . 0.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.5 p -54.62 -20.59 8.38 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.206 -0.934 . . . . 0.0 110.807 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 50' ' ' ILE . 3.1 tp -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.42 -0.8 . . . . 0.0 111.809 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 34.7 mtmt 78.41 7.02 2.42 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 121.583 -0.698 . . . . 0.0 111.482 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.841 HD11 HD23 ' A' ' 48' ' ' LEU . 79.3 mt -78.64 144.02 64.27 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.148 -0.97 . . . . 0.0 109.52 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 50' ' ' ILE . 42.2 Cg_endo -64.22 169.85 10.14 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 O-C-N 123.575 1.302 . . . . 0.0 109.942 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.05 -34.31 73.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.071 -1.018 . . . . 0.0 110.589 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.93 -20.09 55.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.896 -0.503 . . . . 0.0 110.697 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -102.71 -6.67 22.42 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.476 -0.765 . . . . 0.0 111.249 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.851 ' HA ' HD23 ' A' ' 45' ' ' LEU . 63.1 mtm180 -70.01 -40.0 75.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 109.84 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -84.76 -25.04 28.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.666 -0.646 . . . . 0.0 109.935 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.08 -47.43 71.27 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.35 -43.54 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.735 . . . . 0.0 110.522 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.81 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.2 t90 -59.05 -39.12 81.08 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.67 -0.644 . . . . 0.0 111.183 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.03 -41.88 93.17 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.599 -0.688 . . . . 0.0 111.338 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.69 -32.4 74.38 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 59' ' ' TRP . 91.5 mt -65.64 -41.57 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.582 -0.952 . . . . 0.0 110.814 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.247 -0.908 . . . . 0.0 110.682 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.357 -0.84 . . . . 0.0 110.954 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 -43.21 95.56 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.304 -0.872 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.486 -0.759 . . . . 0.0 110.47 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.04 -37.68 80.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.677 -0.639 . . . . 0.0 111.348 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 O-C-N 121.402 -0.811 . . . . 0.0 111.156 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.887 0.375 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 92.3 p -59.17 -164.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 111.28 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.37 -39.92 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.7 -0.625 . . . . 0.0 111.007 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.0 t -59.52 -47.8 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.32 -0.862 . . . . 0.0 110.956 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -59.86 -45.94 90.87 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.189 -0.945 . . . . 0.0 110.988 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.95 -41.44 91.89 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.767 -0.583 . . . . 0.0 111.41 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 23' ' ' LEU . 91.4 mt -62.87 -44.05 97.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 0.0 111.352 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.2 95.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.428 -0.795 . . . . 0.0 110.325 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -61.66 -29.88 70.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.605 -0.684 . . . . 0.0 110.428 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.77 14.1 31.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.628 -0.67 . . . . 0.0 111.323 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.63 72.79 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.47 156.54 20.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.485 -1.009 . . . . 0.0 109.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -177.38 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.41 -0.806 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -69.19 -22.92 63.87 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.615 -0.678 . . . . 0.0 111.247 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.3 m -89.91 0.69 56.92 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.28 -0.887 . . . . 0.0 110.813 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD13 HD12 ' A' ' 14' ' ' LEU . 35.2 tp -60.04 -39.92 87.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.258 -0.901 . . . . 0.0 110.371 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 28' ' ' THR . 58.5 m-20 -50.65 -36.44 35.51 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.286 -0.884 . . . . 0.0 111.585 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -64.36 -39.99 94.97 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.132 -0.98 . . . . 0.0 110.695 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.9 m-85 -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.396 -0.815 . . . . 0.0 111.119 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 6.8 t -69.86 -43.0 72.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.414 -0.804 . . . . 0.0 111.827 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -68.4 -15.3 63.51 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.073 -1.017 . . . . 0.0 111.514 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.8 mm-40 -95.61 -7.59 37.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 112.149 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.0 32.14 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.017 -1.052 . . . . 0.0 110.73 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.4 mp -112.17 116.53 30.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.418 -1.048 . . . . 0.0 110.206 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 33' ' ' THR . 74.3 p -132.57 25.91 4.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.746 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 32' ' ' THR . 14.0 p -152.9 142.54 21.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.008 . . . . 0.0 110.943 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.2 tt -63.95 -31.54 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.51 -0.744 . . . . 0.0 110.486 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.58 -23.38 62.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.576 -0.702 . . . . 0.0 110.526 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -69.9 -32.35 70.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.458 -0.777 . . . . 0.0 110.093 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' ILE . 46.8 pt -106.02 9.11 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.0 112.634 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.78 -40.03 91.04 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.73 -1.231 . . . . 0.0 111.789 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.17 -20.18 19.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.227 -0.921 . . . . 0.0 110.488 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.94 139.95 57.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.206 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -102.43 -172.22 2.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.599 -0.688 . . . . 0.0 109.853 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.4 mtp -62.74 -41.03 99.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.535 -0.728 . . . . 0.0 111.049 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.68 -40.02 84.44 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.263 -0.898 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.87 -36.55 83.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.813 -0.554 . . . . 0.0 110.372 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 55' ' ' ARG . 58.3 tp -69.05 -27.28 65.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.552 -0.717 . . . . 0.0 111.035 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' HB2' ' NH1' ' A' ' 55' ' ' ARG . . . -57.12 -48.08 79.53 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.055 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -52.3 -23.24 5.46 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.345 -0.847 . . . . 0.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -70.38 3.47 2.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.445 -0.785 . . . . 0.0 113.032 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 33.5 tttt 85.19 -4.87 0.9 Allowed 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 118.804 0.729 . . . . 0.0 112.055 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 51' ' ' PRO . 98.3 mt -77.33 143.75 69.57 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 120.935 -1.103 . . . . 0.0 109.912 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 50' ' ' ILE . 45.6 Cg_endo -65.54 169.42 12.78 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 O-C-N 123.818 1.43 . . . . 0.0 108.969 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.72 -24.81 62.71 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.034 -1.041 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.12 -26.45 68.83 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.51 -0.744 . . . . 0.0 111.876 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -100.26 -6.3 26.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.101 -1.0 . . . . 0.0 111.374 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.83 ' HA ' HD23 ' A' ' 45' ' ' LEU . 51.9 mtm180 -70.6 -39.93 73.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.89 -1.131 . . . . 0.0 109.895 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -79.05 -37.31 39.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.841 -0.537 . . . . 0.0 110.92 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.46 79.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.426 -0.797 . . . . 0.0 111.124 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.55 -43.37 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.52 -0.737 . . . . 0.0 110.671 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 22.7 t90 -60.02 -36.56 77.51 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.583 -0.698 . . . . 0.0 110.358 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.687 -0.633 . . . . 0.0 110.624 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.81 73.97 Favored Glycine 0 N--CA 1.496 2.694 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 95.1 mt -66.03 -43.11 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.564 -0.962 . . . . 0.0 110.387 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.04 -49.47 77.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.412 -0.805 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.51 -0.744 . . . . 0.0 111.287 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.88 -47.41 85.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.429 -0.794 . . . . 0.0 110.585 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -60.0 -45.62 92.14 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 0.0 110.925 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -60.39 -38.75 84.95 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.433 -0.792 . . . . 0.0 111.667 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 110.694 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.498 1.946 0 CA-C-O 121.177 0.513 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.6 p -56.99 171.08 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.927 0.87 . . . . 0.0 111.554 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 34' ' ' ILE . 48.0 mm -68.6 -34.79 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.24 -52.85 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.209 -0.932 . . . . 0.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.171 -0.956 . . . . 0.0 111.777 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.9 -45.63 91.93 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.321 -0.862 . . . . 0.0 111.023 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 23' ' ' LEU . 95.7 mt -60.68 -40.0 90.55 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.431 -0.793 . . . . 0.0 110.972 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.48 93.88 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.485 -0.759 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -59.87 -31.7 70.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.743 -0.598 . . . . 0.0 110.909 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -93.59 12.56 24.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.299 -0.876 . . . . 0.0 110.346 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.96 75.87 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 m -122.94 141.04 52.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.629 -0.924 . . . . 0.0 110.63 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.5 m -160.9 25.49 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.564 -0.71 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 t -112.58 -19.6 12.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.277 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.7 m -95.64 1.56 53.68 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.182 -0.949 . . . . 0.0 111.466 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 14' ' ' LEU . 60.6 tp -57.43 -39.73 76.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.19 -0.944 . . . . 0.0 110.759 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.47 -36.81 55.74 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.365 -0.835 . . . . 0.0 111.8 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.08 -43.61 98.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.115 -0.99 . . . . 0.0 110.967 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.33 -40.06 89.64 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.8 p -64.76 -40.2 94.89 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.42 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.1 m -68.15 -17.23 64.29 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.571 -0.706 . . . . 0.0 111.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -101.64 -12.29 18.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.058 -1.026 . . . . 0.0 112.232 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.06 8.58 57.8 Favored Glycine 0 N--CA 1.501 3.026 0 C-N-CA 120.071 -1.062 . . . . 0.0 110.727 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -97.12 111.42 23.66 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.305 -1.115 . . . . 0.0 109.503 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -130.81 22.39 4.99 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.43 -0.794 . . . . 0.0 111.501 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -146.95 142.82 27.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.114 -0.991 . . . . 0.0 110.06 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 10' ' ' ILE . 27.6 mm -60.08 -39.99 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.506 -0.746 . . . . 0.0 109.608 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -51.52 -24.13 4.87 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.0 111.185 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -69.77 -38.36 76.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.466 -0.771 . . . . 0.0 110.432 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.8 pt -102.73 9.05 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.525 -0.735 . . . . 0.0 112.331 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.994 -1.066 . . . . 0.0 111.526 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.51 -20.39 18.42 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.187 -0.946 . . . . 0.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.46 147.08 46.36 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.492 -0.755 . . . . 0.0 110.816 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -102.37 169.72 8.51 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptm -60.79 -40.8 93.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.333 -0.854 . . . . 0.0 110.615 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -64.85 -40.03 94.51 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.421 -0.799 . . . . 0.0 110.339 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -63.9 -32.53 74.09 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.538 0.685 . . . . 0.0 109.506 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' A' ' 50' ' ' ILE . 34.3 tp -67.0 -20.88 65.95 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 111.171 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -46.4 77.32 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.157 -0.965 . . . . 0.0 110.721 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -51.9 -21.55 3.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.102 -0.999 . . . . 0.0 110.916 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 50' ' ' ILE . 6.2 tp -75.96 10.53 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.334 -0.854 . . . . 0.0 112.521 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 15.4 mmtt 77.12 1.85 3.17 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.541 -0.724 . . . . 0.0 112.079 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.789 HD11 HD23 ' A' ' 48' ' ' LEU . 81.3 mt -77.69 139.51 62.78 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.881 -1.137 . . . . 0.0 109.87 178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.49 171.76 17.03 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 O-C-N 123.68 1.358 . . . . 0.0 109.008 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.62 -23.03 66.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.176 -0.953 . . . . 0.0 111.158 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.99 -36.05 76.33 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.425 -0.797 . . . . 0.0 110.692 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.96 -5.98 25.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 0.0 111.219 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' A' ' 45' ' ' LEU . 17.6 mtm180 -70.82 -52.41 20.6 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.945 -1.097 . . . . 0.0 110.66 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -75.72 -32.66 60.14 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.569 -0.707 . . . . 0.0 110.46 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.94 87.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.0 mt -71.75 -40.13 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.407 -0.808 . . . . 0.0 110.354 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.715 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 t90 -60.0 -36.86 78.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.632 -0.667 . . . . 0.0 110.722 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -60.05 -40.02 87.96 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.699 -0.625 . . . . 0.0 110.828 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.67 -30.11 74.45 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' TRP . 94.9 mt -66.73 -40.02 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.429 -1.041 . . . . 0.0 110.79 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.03 -50.24 74.51 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.085 -1.01 . . . . 0.0 109.984 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -58.25 -34.69 70.74 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.474 -0.766 . . . . 0.0 110.312 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . 86.4 t60 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.827 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -63.56 -40.1 96.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.496 -0.752 . . . . 0.0 111.156 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -60.4 -39.94 89.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.633 -0.667 . . . . 0.0 112.376 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.8 pp . . . . . 0 N--CA 1.501 2.079 0 O-C-N 120.968 -1.082 . . . . 0.0 111.076 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 120.841 0.353 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 95.7 p -60.42 166.51 3.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.292 -0.88 . . . . 0.0 111.413 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.69 -35.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.806 -0.559 . . . . 0.0 110.69 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 23' ' ' LEU . 62.3 t -52.26 -55.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.292 -0.88 . . . . 0.0 111.315 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.332 -0.855 . . . . 0.0 111.461 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.02 -40.48 89.44 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.682 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.46 -40.02 95.27 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.396 -0.815 . . . . 0.0 110.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.91 95.46 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 109.616 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -60.09 -28.74 68.08 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.136 0.493 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 tp -93.75 12.88 24.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.547 -0.721 . . . . 0.0 109.692 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.58 27.95 70.56 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.2 m -123.92 136.8 54.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.581 -0.952 . . . . 0.0 110.941 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -153.02 21.75 0.57 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.491 -0.755 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -99.19 -20.2 16.74 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.36 -0.838 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.76 3.64 54.78 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.349 -0.845 . . . . 0.0 111.001 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 11' ' ' VAL . 64.6 tp -59.93 -41.55 92.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 27' ' ' THR . 56.4 t0 -54.84 -37.78 66.61 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.263 -0.898 . . . . 0.0 111.452 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 54.9 m-85 -62.93 -44.1 96.99 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.078 -1.014 . . . . 0.0 111.71 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.77 -42.25 74.09 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.048 -1.032 . . . . 0.0 111.24 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -66.12 -39.93 90.3 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.784 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -68.75 -18.4 64.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.505 -0.747 . . . . 0.0 110.936 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -100.32 -12.51 19.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.163 -0.961 . . . . 0.0 112.015 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.26 6.56 58.77 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.7 114.24 26.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.249 -1.148 . . . . 0.0 109.654 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -131.62 29.92 4.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.619 -0.676 . . . . 0.0 111.545 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -155.74 157.22 36.19 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.974 -1.079 . . . . 0.0 111.255 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.98 -39.19 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 48.1 m-85 -54.54 -23.75 17.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.699 -0.625 . . . . 0.0 110.653 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.01 -34.96 73.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.507 -0.745 . . . . 0.0 109.706 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 45.8 pt -116.58 24.82 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.553 -0.717 . . . . 0.0 111.778 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 15.6 mm-40 -60.0 -39.67 86.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.158 -0.964 . . . . 0.0 111.718 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -103.9 -2.63 25.91 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.282 -0.886 . . . . 0.0 111.14 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 8.8 m-85 -62.71 142.15 58.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.08 -1.013 . . . . 0.0 109.573 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.3 m -100.12 177.88 4.95 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.529 -0.732 . . . . 0.0 109.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mtp -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.582 -0.699 . . . . 0.0 110.511 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.68 -40.01 88.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.575 -0.703 . . . . 0.0 109.765 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -61.09 -38.39 86.08 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.25 0.548 . . . . 0.0 110.283 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 55' ' ' ARG . 45.1 tp -63.95 -26.57 68.65 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.643 -0.661 . . . . 0.0 110.354 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.49 74.86 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 0.0 110.217 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -49.97 -24.76 2.76 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.392 -0.817 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.97 8.11 2.23 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.437 -0.789 . . . . 0.0 112.248 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 20.8 mmmt 78.25 1.73 2.72 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 123.411 0.684 . . . . 0.0 111.689 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 48' ' ' LEU . 82.6 mt -75.64 144.61 77.39 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 120.964 -1.085 . . . . 0.0 109.723 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -84.17 171.63 10.11 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 O-C-N 123.837 1.44 . . . . 0.0 109.049 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.07 -27.25 68.98 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.081 -1.012 . . . . 0.0 111.304 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -35.23 74.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.422 -0.799 . . . . 0.0 110.802 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -98.23 -7.89 28.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.353 -0.842 . . . . 0.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 45' ' ' LEU . 8.8 mtm180 -70.09 -46.31 65.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.968 -1.082 . . . . 0.0 110.605 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 25.0 p80 -76.25 -31.84 58.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.444 -0.785 . . . . 0.0 110.915 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -67.4 -46.83 72.1 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.446 -0.784 . . . . 0.0 111.307 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -72.73 -42.73 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.0 t90 -59.88 -40.33 88.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.561 -0.712 . . . . 0.0 111.436 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.01 -39.93 87.48 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.377 -0.827 . . . . 0.0 111.176 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.33 -30.34 77.25 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 59' ' ' TRP . 86.8 mt -65.79 -35.98 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.701 -0.882 . . . . 0.0 110.865 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.93 -50.03 75.35 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.307 -0.871 . . . . 0.0 110.641 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.79 -39.52 85.23 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.36 -0.837 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.614 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.0 t60 -58.89 -33.91 71.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.35 -0.844 . . . . 0.0 111.786 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.4 -40.52 94.7 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.176 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.7 pp . . . . . 0 N--CA 1.499 1.993 0 O-C-N 121.239 -0.913 . . . . 0.0 110.644 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 120.801 0.334 . . . . 0.0 110.12 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.22 -168.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.764 . . . . 0.0 110.711 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -69.9 -40.0 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.691 . . . . 0.0 111.341 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.76 -55.51 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.994 -1.066 . . . . 0.0 111.294 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -41.95 93.15 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.287 -0.883 . . . . 0.0 112.168 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.91 -46.14 90.32 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.282 -0.886 . . . . 0.0 111.568 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.11 -39.96 94.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.876 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.55 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.257 -0.902 . . . . 0.0 109.7 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -63.22 -26.22 68.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.755 -0.59 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -99.6 10.48 41.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.514 -0.741 . . . . 0.0 110.074 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.05 29.77 72.26 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 17' ' ' LEU . 70.8 m -117.54 151.58 36.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.475 -1.015 . . . . 0.0 110.254 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -173.96 -35.82 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.436 -0.79 . . . . 0.0 110.119 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -59.02 -26.67 64.76 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.523 -0.735 . . . . 0.0 111.43 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 m -89.8 0.48 56.99 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 tp -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 0.0 110.446 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -53.83 -36.67 62.8 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.215 -0.928 . . . . 0.0 111.866 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -62.74 -40.06 96.04 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.093 -1.005 . . . . 0.0 110.256 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 95.6 m-85 -67.32 -40.12 85.91 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.283 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 p -65.13 -39.96 93.77 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.414 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -65.82 -19.42 65.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 111.376 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -99.0 -6.07 29.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 112.139 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.43 10.16 66.01 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.6 mt -96.59 112.62 24.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -1.083 . . . . 0.0 109.082 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -134.53 29.99 3.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.698 -0.627 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 p -150.1 142.96 24.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.281 -0.887 . . . . 0.0 110.356 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -66.31 -24.91 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.683 -0.636 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -65.86 -26.13 67.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB3' HD23 ' A' ' 31' ' ' LEU . 6.9 mm100 -67.33 -39.92 85.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 109.654 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 42.9 pt -102.44 9.89 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.712 -0.618 . . . . 0.0 112.11 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.97 -37.95 81.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.956 -1.09 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.47 -12.03 21.73 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.373 -0.829 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 7.2 m-85 -59.2 143.24 49.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.322 -0.861 . . . . 0.0 111.489 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -102.84 178.87 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.797 -0.564 . . . . 0.0 109.571 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.0 mtp -62.63 -40.0 95.61 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.453 -0.779 . . . . 0.0 110.945 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -68.38 -40.0 81.54 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.384 -0.823 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -64.96 -36.76 85.43 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.67 -0.643 . . . . 0.0 111.108 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 55' ' ' ARG . 48.7 tp -69.98 -25.58 63.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.97 82.59 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.253 -0.905 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.4 p -54.37 -21.11 8.67 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.159 -0.963 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 31' ' ' LEU . 1.2 tp -75.32 4.81 6.5 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.326 -0.859 . . . . 0.0 112.297 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 52.7 mttm 78.45 4.09 2.64 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 123.687 0.795 . . . . 0.0 112.307 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 48' ' ' LEU . 57.4 mt -76.24 134.89 70.11 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.917 -1.114 . . . . 0.0 109.354 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.19 168.39 7.74 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 O-C-N 123.637 1.335 . . . . 0.0 109.301 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 84.4 tt0 -69.53 -30.23 68.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.02 -1.05 . . . . 0.0 110.491 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.12 -22.28 62.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.714 -0.616 . . . . 0.0 110.072 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -101.4 -14.38 17.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 111.303 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HA ' HD23 ' A' ' 45' ' ' LEU . 19.2 mtm180 -69.69 -40.11 76.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.064 -1.022 . . . . 0.0 110.562 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -79.05 -37.9 37.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.461 -0.774 . . . . 0.0 110.69 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -63.66 -43.28 97.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.0 111.373 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -76.62 -40.51 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.337 -0.852 . . . . 0.0 110.767 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.739 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.2 t90 -59.96 -39.39 85.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.494 -0.754 . . . . 0.0 110.911 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.0 -41.32 91.85 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.547 -0.721 . . . . 0.0 111.669 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.35 74.85 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.5 mt -65.8 -41.27 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.953 . . . . 0.0 110.957 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.0 -49.17 78.73 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.316 -0.865 . . . . 0.0 110.651 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.91 -40.34 88.51 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.553 -0.717 . . . . 0.0 111.161 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.716 ' HA ' HD23 ' A' ' 68' ' ' LEU . 84.4 t60 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 110.408 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -64.46 -39.48 93.89 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.697 -0.627 . . . . 0.0 110.694 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.07 -38.14 81.98 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.538 -0.726 . . . . 0.0 111.798 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.2 pp . . . . . 0 N--CA 1.501 2.077 0 O-C-N 121.026 -1.046 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' HD12 ' A' ' 34' ' ' ILE . 28.5 p . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 121.132 0.491 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -59.64 164.94 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.652 0.739 . . . . 0.0 111.205 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.86 -25.86 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.022 -0.424 . . . . 0.0 110.856 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 23' ' ' LEU . 76.1 t -59.96 -52.73 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.312 -0.868 . . . . 0.0 109.876 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.405 -0.809 . . . . 0.0 111.072 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.54 94.94 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.442 -0.786 . . . . 0.0 111.331 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.76 -40.21 96.15 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.381 -0.824 . . . . 0.0 111.077 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.18 96.51 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -60.0 -29.59 68.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.876 -0.515 . . . . 0.0 110.401 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.08 17.22 12.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.565 -0.71 . . . . 0.0 110.389 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.57 26.28 66.4 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.8 m -122.21 129.88 52.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.511 -0.994 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -154.14 24.02 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 109.982 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -100.93 -28.36 12.8 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.446 -0.784 . . . . 0.0 110.961 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.7 m -91.91 5.89 48.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.314 -0.866 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 HG22 ' A' ' 11' ' ' VAL . 56.2 tp -59.56 -43.36 93.58 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.702 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -51.65 -34.48 38.22 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.33 -0.856 . . . . 0.0 111.447 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.88 -40.02 95.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.002 -1.061 . . . . 0.0 109.884 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 78.4 m-85 -67.64 -39.97 84.61 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.383 -0.823 . . . . 0.0 110.606 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 p -65.31 -41.49 93.98 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.588 -0.695 . . . . 0.0 110.112 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -68.8 -14.54 63.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.63 -0.669 . . . . 0.0 111.246 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -14.89 17.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.078 -1.014 . . . . 0.0 112.028 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.56 19.68 47.69 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 HE21 ' A' ' 36' ' ' GLN . 2.1 mt -103.21 114.99 29.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.343 -1.092 . . . . 0.0 109.267 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.9 p -133.08 25.6 4.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.162 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -148.75 139.44 22.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.008 -1.058 . . . . 0.0 110.784 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 8' ' ' CYS . 97.2 mt -60.32 -39.88 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.531 -0.731 . . . . 0.0 109.855 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 33.7 m-85 -50.92 -23.25 2.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.395 -0.815 . . . . 0.0 111.063 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.528 HE21 HD23 ' A' ' 31' ' ' LEU . 6.3 mm100 -70.03 -37.91 75.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.515 -0.74 . . . . 0.0 109.977 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.9 pt -106.07 17.07 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.507 -0.746 . . . . 0.0 112.395 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.95 -39.25 84.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.986 -1.071 . . . . 0.0 112.418 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -101.24 -3.65 28.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.913 -1.117 . . . . 0.0 111.103 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.41 141.75 57.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.28 -0.888 . . . . 0.0 110.777 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 m -102.26 177.8 4.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.608 -0.683 . . . . 0.0 109.881 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.5 mtp -61.21 -43.64 98.56 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.557 -0.714 . . . . 0.0 111.249 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.0 -39.9 90.7 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.39 -0.819 . . . . 0.0 110.06 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.06 -37.98 81.48 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.832 -0.543 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.7 tp -64.67 -28.93 69.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.603 -0.685 . . . . 0.0 111.258 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.29 70.17 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.177 -0.952 . . . . 0.0 110.382 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 t -50.01 -25.91 3.81 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.487 -0.758 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 50' ' ' ILE . 6.8 tp -71.72 2.95 4.56 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.492 -0.755 . . . . 0.0 112.044 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 7.9 mtpt 78.45 0.19 2.57 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 123.312 0.645 . . . . 0.0 111.334 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 48' ' ' LEU . 96.7 mt -74.73 133.56 76.41 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.128 -0.983 . . . . 0.0 109.602 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.55 172.01 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 O-C-N 123.683 1.359 . . . . 0.0 109.825 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -22.74 63.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.077 -1.014 . . . . 0.0 111.299 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -60.08 -30.51 69.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.529 -0.732 . . . . 0.0 110.474 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -98.81 -2.79 37.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.51 -0.744 . . . . 0.0 111.748 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HA ' HD23 ' A' ' 45' ' ' LEU . 45.7 mtm180 -70.23 -49.49 49.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.825 -1.172 . . . . 0.0 110.342 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -75.8 -34.33 60.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.626 -0.671 . . . . 0.0 110.386 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.85 73.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.467 -0.771 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.78 -42.69 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.365 -0.834 . . . . 0.0 111.383 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -59.92 -35.62 75.29 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.06 -40.46 89.54 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.402 -0.811 . . . . 0.0 110.853 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.06 -31.59 66.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mm -63.82 -39.99 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -1.002 . . . . 0.0 110.83 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -50.0 75.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.406 -0.809 . . . . 0.0 111.063 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -60.3 -39.95 88.79 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.405 -0.81 . . . . 0.0 111.487 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -60.52 -43.56 96.97 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 110.032 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.0 -39.12 84.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.694 -0.629 . . . . 0.0 110.102 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.02 -38.86 83.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.692 -0.63 . . . . 0.0 111.135 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 O-C-N 121.41 -0.807 . . . . 0.0 109.918 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.117 0.484 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -58.98 163.18 3.66 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 122.087 0.946 . . . . 0.0 111.962 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -70.03 -34.63 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.311 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -49.79 -50.6 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 120.937 -1.102 . . . . 0.0 110.474 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -59.95 -39.81 86.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.614 -0.678 . . . . 0.0 110.905 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.94 -49.98 75.54 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.4 -0.812 . . . . 0.0 111.929 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.36 -39.14 86.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.366 -0.834 . . . . 0.0 110.731 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.2 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.354 -0.841 . . . . 0.0 109.385 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.99 -29.95 69.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.784 -0.572 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -100.03 15.17 28.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.323 -0.861 . . . . 0.0 110.617 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.05 73.82 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -122.64 150.23 42.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.482 -1.011 . . . . 0.0 110.124 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -173.85 -36.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.437 -0.789 . . . . 0.0 110.163 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 m -51.16 -24.66 4.36 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.489 -0.757 . . . . 0.0 111.81 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -91.91 2.53 56.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.242 -0.911 . . . . 0.0 111.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.29 -39.95 80.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.201 -0.937 . . . . 0.0 111.186 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.75 -33.56 48.91 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.23 -0.919 . . . . 0.0 111.62 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 48' ' ' LEU . 36.8 m-85 -63.06 -42.85 99.78 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.7 m-85 -69.96 -40.12 75.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.241 -0.912 . . . . 0.0 110.956 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -60.93 -50.04 75.01 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.753 -0.592 . . . . 0.0 111.086 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -66.76 -9.81 40.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.42 -0.8 . . . . 0.0 111.872 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 28' ' ' THR . 55.4 mm-40 -99.37 -14.63 19.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.021 -1.049 . . . . 0.0 111.821 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.65 14.47 43.62 Favored Glycine 0 N--CA 1.499 2.867 0 C-N-CA 120.106 -1.045 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.38 113.61 27.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.319 -1.106 . . . . 0.0 109.6 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -129.35 22.5 5.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.451 -0.781 . . . . 0.0 112.274 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.42 ' CB ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -147.36 143.3 27.9 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.88 -1.138 . . . . 0.0 110.086 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 35' ' ' TYR . 19.8 tt -65.12 -38.1 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.727 -0.608 . . . . 0.0 111.023 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' HA ' ' HG3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -60.0 -27.27 66.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 110.742 -178.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HG3' ' CB ' ' A' ' 33' ' ' THR . 4.5 mt-30 -64.74 -37.21 86.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.632 -0.667 . . . . 0.0 110.911 -178.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 pt -92.46 26.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.324 -0.86 . . . . 0.0 110.778 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.468 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 76.9 mt-10 -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.344 -0.847 . . . . 0.0 112.573 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -108.13 -3.96 18.13 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.962 -1.086 . . . . 0.0 113.035 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.493 ' HE2' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -56.66 142.94 38.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.961 -1.087 . . . . 0.0 110.956 -178.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -103.41 -179.26 3.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.212 -0.93 . . . . 0.0 110.571 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.66 -40.0 93.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.361 0.6 . . . . 0.0 110.374 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.02 -40.07 75.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.6 -0.688 . . . . 0.0 111.027 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.32 -38.91 88.56 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.882 -0.511 . . . . 0.0 110.741 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 55' ' ' ARG . 55.9 tp -67.5 -30.25 69.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.287 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.214 -0.929 . . . . 0.0 109.938 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.9 t -51.84 -24.0 5.53 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.261 -0.899 . . . . 0.0 110.08 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.17 4.38 3.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.415 -0.803 . . . . 0.0 111.842 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 89.6 mttt 79.34 3.05 2.29 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 123.697 0.799 . . . . 0.0 111.687 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.594 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 90.4 mt -78.24 142.54 63.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.948 -1.095 . . . . 0.0 109.166 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.17 168.25 25.12 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.754 1.397 . . . . 0.0 108.937 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.34 -27.82 67.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.127 -0.983 . . . . 0.0 110.376 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.05 -30.15 69.0 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.48 -12.11 20.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.575 -0.703 . . . . 0.0 111.016 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HA ' HD23 ' A' ' 45' ' ' LEU . 23.1 mtm180 -69.74 -40.07 76.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.992 -1.068 . . . . 0.0 110.775 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 23.2 p80 -82.9 -28.34 30.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.31 -0.869 . . . . 0.0 110.826 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -70.23 -44.99 67.44 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.394 -0.816 . . . . 0.0 110.978 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -72.82 -40.48 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.717 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.626 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.5 t90 -59.89 -36.83 77.77 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.661 -0.649 . . . . 0.0 110.883 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.1 -39.89 87.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.636 -0.665 . . . . 0.0 111.308 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.34 72.54 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.0 mt -67.47 -40.05 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.416 -1.049 . . . . 0.0 110.916 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.99 -50.83 72.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.353 -0.842 . . . . 0.0 110.968 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.02 -38.08 81.65 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.976 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.368 -0.832 . . . . 0.0 109.662 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.61 -40.56 92.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.693 -0.63 . . . . 0.0 109.95 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -62.36 -37.68 86.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.727 -0.608 . . . . 0.0 110.772 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.586 -0.696 . . . . 0.0 110.522 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.7 0.286 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -57.2 171.31 0.4 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.331 -0.856 . . . . 0.0 111.262 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.0 -39.29 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.722 -0.611 . . . . 0.0 111.926 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG22 HD11 ' A' ' 23' ' ' LEU . 57.9 t -51.04 -52.65 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 O-C-N 120.94 -1.1 . . . . 0.0 111.277 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -60.0 -40.03 87.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.36 -0.838 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.92 -47.32 86.27 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.545 -0.722 . . . . 0.0 111.32 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD13 ' A' ' 23' ' ' LEU . 85.4 mt -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.419 -0.801 . . . . 0.0 109.849 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.93 92.99 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.669 -0.644 . . . . 0.0 109.774 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.04 -27.75 67.18 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.747 -0.596 . . . . 0.0 110.122 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.45 10.58 40.53 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.587 -0.696 . . . . 0.0 109.843 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.32 76.13 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -121.27 137.81 54.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.485 -1.009 . . . . 0.0 111.054 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p -158.6 22.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.252 -0.905 . . . . 0.0 110.479 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.1 p -104.43 -20.26 13.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.222 -0.924 . . . . 0.0 111.142 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.3 m -100.06 3.05 43.84 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.297 -0.877 . . . . 0.0 111.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 11' ' ' VAL . 47.6 tp -57.8 -40.03 78.94 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.199 -0.938 . . . . 0.0 110.543 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 27' ' ' THR . 66.6 m-20 -51.73 -33.88 36.63 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.497 -0.752 . . . . 0.0 112.136 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -64.37 -40.65 96.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.28 -0.887 . . . . 0.0 111.113 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -70.0 -41.11 74.8 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.413 -0.805 . . . . 0.0 111.398 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -70.27 -40.03 74.6 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.443 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -67.31 -18.71 65.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.502 -0.749 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -101.64 -8.41 21.84 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.264 -0.898 . . . . 0.0 112.041 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.48 -0.91 63.74 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.493 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 48' ' ' LEU . 3.8 mp -91.02 111.39 22.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 108.787 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' HG23 ' A' ' 33' ' ' THR . 73.4 p -130.21 23.52 5.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.619 -0.676 . . . . 0.0 111.626 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 32' ' ' THR . 71.0 p -147.68 151.28 35.88 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.05 -1.032 . . . . 0.0 110.509 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.98 -39.97 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 CA-C-O 121.375 0.607 . . . . 0.0 109.549 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.33 -26.22 11.68 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.765 -0.584 . . . . 0.0 111.507 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mm100 -70.04 -33.3 71.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.438 -0.789 . . . . 0.0 109.956 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.23 10.04 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 111.997 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.04 -37.45 79.86 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.0 -1.063 . . . . 0.0 110.866 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -100.36 -16.56 17.6 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.4 -0.813 . . . . 0.0 111.327 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 13.3 m-85 -61.16 143.14 56.07 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.32 -0.863 . . . . 0.0 110.548 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -101.81 -177.85 3.54 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.49 -40.11 96.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.854 -0.529 . . . . 0.0 111.165 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.87 -39.99 75.99 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 110.342 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.94 -35.64 80.79 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.332 0.587 . . . . 0.0 109.701 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HG2' ' A' ' 55' ' ' ARG . 24.7 tp -64.91 -29.94 70.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.744 -0.597 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . . . -56.06 -43.2 77.7 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.304 -0.873 . . . . 0.0 108.925 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -50.04 -27.88 6.21 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.777 -0.577 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 tp -78.32 10.18 3.26 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.337 -0.852 . . . . 0.0 112.265 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 3.1 mtpp 79.24 5.34 2.2 Favored 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 123.339 0.655 . . . . 0.0 111.964 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 45' ' ' LEU . 87.1 mt -78.29 146.34 70.4 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 120.98 -1.075 . . . . 0.0 109.503 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.83 163.8 10.46 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 O-C-N 123.59 1.311 . . . . 0.0 109.242 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -60.76 -25.77 66.75 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.138 -0.976 . . . . 0.0 110.737 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.07 -36.66 77.84 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.119 0.961 . . . . 0.0 110.289 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -97.35 -16.9 20.05 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.265 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.745 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.0 mtm180 -69.97 -40.01 75.65 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.031 -1.043 . . . . 0.0 110.911 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -76.45 -39.94 51.91 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.49 -0.756 . . . . 0.0 111.676 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.61 75.71 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.413 -0.804 . . . . 0.0 111.52 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.57 -44.18 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.1 t90 -60.04 -40.05 88.06 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.488 -0.757 . . . . 0.0 110.259 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 0.0 110.241 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -29.02 67.65 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.0 mt -63.22 -39.66 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.544 -0.974 . . . . 0.0 110.776 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.03 -47.73 84.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.157 -0.965 . . . . 0.0 110.12 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.94 -39.3 81.22 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.371 -0.831 . . . . 0.0 110.482 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.42 ' HA ' HD23 ' A' ' 68' ' ' LEU . 77.2 t60 -60.02 -40.03 87.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.764 -0.585 . . . . 0.0 110.426 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.42 -40.03 92.86 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.44 -0.788 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.191 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.146 -0.971 . . . . 0.0 111.071 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.828 0.347 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -56.38 179.71 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.445 -0.784 . . . . 0.0 111.222 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.09 -39.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.733 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 23' ' ' LEU . 93.4 t -51.37 -55.41 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 O-C-N 121.343 -0.848 . . . . 0.0 111.459 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.342 -0.849 . . . . 0.0 111.087 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 62' ' ' ILE . 72.4 t80 -60.06 -44.59 94.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.474 -0.766 . . . . 0.0 111.801 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.92 -39.97 91.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.212 -0.93 . . . . 0.0 110.799 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.4 96.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.535 -0.728 . . . . 0.0 109.451 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -29.37 69.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.872 -0.518 . . . . 0.0 110.217 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' ' 57' ' ' ALA . 25.4 tp -97.77 13.8 29.17 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.277 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.94 27.52 73.64 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.5 m -114.41 151.98 32.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.502 -0.999 . . . . 0.0 109.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -173.14 -36.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -60.07 -25.75 65.62 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.47 7.61 35.18 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.212 -0.93 . . . . 0.0 111.248 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 11' ' ' VAL . 47.5 tp -59.39 -39.96 85.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.293 -0.879 . . . . 0.0 110.257 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 27' ' ' THR . 39.4 t0 -52.71 -37.22 58.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.394 -0.816 . . . . 0.0 112.355 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -63.7 -40.5 96.95 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.789 -1.195 . . . . 0.0 111.051 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 84.8 m-85 -70.1 -41.57 73.85 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.387 -0.821 . . . . 0.0 111.801 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 24' ' ' ASP . 8.2 t -66.06 -39.37 90.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.7 m -67.8 -17.41 64.51 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.552 -0.717 . . . . 0.0 111.442 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -98.72 -9.42 24.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.069 -1.019 . . . . 0.0 112.635 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 16.75 57.66 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD23 HE21 ' A' ' 36' ' ' GLN . 7.8 mt -100.82 113.21 25.92 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.378 -1.072 . . . . 0.0 109.365 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -134.71 28.36 3.59 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.09 139.42 22.37 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.215 -0.928 . . . . 0.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.14 -30.1 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.621 -0.674 . . . . 0.0 109.357 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.05 -25.47 65.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.761 -0.587 . . . . 0.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.414 HE21 HD23 ' A' ' 31' ' ' LEU . 4.2 mm100 -69.98 -30.0 67.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.584 -0.697 . . . . 0.0 110.064 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.3 pt -111.09 13.43 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 112.543 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.95 -38.3 82.04 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.867 -1.145 . . . . 0.0 110.755 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -98.7 -13.21 20.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.451 -0.781 . . . . 0.0 111.211 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.92 139.92 57.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.253 -0.905 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -101.55 -178.43 3.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.578 -0.701 . . . . 0.0 109.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 98.7 mtp -63.11 -39.91 96.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.529 -0.732 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -67.25 -39.99 86.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.102 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.09 -34.23 77.57 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.271 0.558 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.5 tp -68.64 -22.96 64.38 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.572 -0.705 . . . . 0.0 111.3 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.89 84.58 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.11 -0.994 . . . . 0.0 109.844 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -50.52 -24.7 3.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.356 -0.84 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -75.67 8.04 3.29 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 112.13 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 55.7 mttm 70.12 8.91 6.87 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.43 -0.794 . . . . 0.0 112.493 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 48' ' ' LEU . 25.0 mt -78.54 137.45 59.19 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 109.101 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.35 171.44 16.12 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.639 1.336 . . . . 0.0 109.546 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.3 mt-10 -66.11 -28.83 69.11 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.023 -1.048 . . . . 0.0 110.975 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.18 -28.73 68.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.508 -0.745 . . . . 0.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.47 -12.08 18.09 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.65 -0.656 . . . . 0.0 111.148 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 45' ' ' LEU . 27.6 mtm-85 -71.63 -45.92 60.64 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -79.06 -27.79 43.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.337 -0.852 . . . . 0.0 110.786 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -72.53 -44.79 61.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.413 -0.804 . . . . 0.0 110.987 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.3 mt -71.84 -43.72 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.428 -0.795 . . . . 0.0 110.448 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 16.5 t90 -59.98 -39.33 85.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.625 -0.672 . . . . 0.0 110.566 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -59.92 -40.03 87.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.616 -0.677 . . . . 0.0 111.29 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.11 59.92 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.414 HG13 ' CZ ' ' A' ' 13' ' ' PHE . 85.4 mt -68.91 -39.98 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.412 -1.052 . . . . 0.0 110.789 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -60.59 -44.93 95.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 81.3 m-20 -58.75 -38.01 77.48 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.183 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.7 t60 -50.32 -28.53 8.04 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.633 -0.667 . . . . 0.0 110.748 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.96 -40.82 75.19 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.502 -0.749 . . . . 0.0 111.395 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -65.07 -39.99 94.05 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.3 pp . . . . . 0 N--CA 1.499 1.982 0 O-C-N 121.091 -1.005 . . . . 0.0 111.055 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.109 0.48 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.0 p -58.98 -171.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.501 -0.75 . . . . 0.0 110.946 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -70.02 -38.67 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.749 -0.595 . . . . 0.0 111.186 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 23' ' ' LEU . 83.4 t -58.19 -50.89 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.401 -0.812 . . . . 0.0 110.851 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -60.01 -42.08 93.55 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.175 -0.953 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.93 -40.71 89.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.432 -0.792 . . . . 0.0 111.493 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.88 87.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.009 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.26 96.71 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.206 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -61.91 -26.04 67.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.609 -0.682 . . . . 0.0 110.56 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.54 HD21 ' O ' ' A' ' 57' ' ' ALA . 19.2 tp -100.1 7.82 44.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.424 -0.797 . . . . 0.0 110.26 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.32 30.8 73.62 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.8 159.48 20.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.906 . . . . 0.0 110.66 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.03 -37.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.371 -0.83 . . . . 0.0 109.934 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -60.5 -23.62 64.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.561 -0.712 . . . . 0.0 111.334 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.26 0.71 57.1 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.256 -0.903 . . . . 0.0 111.221 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 11' ' ' VAL . 53.7 tp -59.8 -40.76 89.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.27 -0.894 . . . . 0.0 111.058 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -54.86 -37.67 66.53 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.182 -0.949 . . . . 0.0 111.692 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -60.54 -41.16 93.9 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.196 -0.94 . . . . 0.0 110.86 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' A' ' 48' ' ' LEU . 80.2 m-85 -69.85 -39.99 76.08 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.405 -0.809 . . . . 0.0 111.357 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -65.93 -40.03 91.04 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.47 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -67.85 -17.3 64.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.584 -0.697 . . . . 0.0 111.526 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' CB ' HD12 ' A' ' 31' ' ' LEU . 29.5 mm-40 -99.73 -8.57 24.11 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.182 -0.949 . . . . 0.0 112.451 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.6 14.09 55.92 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 48' ' ' LEU . 2.1 mp -99.01 111.81 24.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.279 -1.13 . . . . 0.0 108.813 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 33' ' ' THR . 32.0 p -129.04 26.82 5.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.75 -0.593 . . . . 0.0 110.915 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -155.66 140.2 16.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.313 -0.867 . . . . 0.0 110.712 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 35' ' ' TYR . 14.9 tt -60.04 -37.54 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 57.5 m-85 -56.32 -21.23 22.94 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.634 -0.666 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.62 -38.51 80.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.468 -0.77 . . . . 0.0 110.415 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 pt -109.66 19.03 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 119.695 -0.802 . . . . 0.0 112.116 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 43.5 mm-40 -60.08 -36.02 76.46 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.052 -1.03 . . . . 0.0 111.02 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.88 -14.4 21.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.437 -0.789 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 9.8 m-85 -62.29 141.79 58.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.368 -0.832 . . . . 0.0 111.211 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -106.97 -175.91 2.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.669 -0.644 . . . . 0.0 109.427 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.454 ' HE1' ' CD2' ' A' ' 56' ' ' HIS . 64.8 mtt -60.04 -40.19 88.52 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.449 -0.782 . . . . 0.0 111.12 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -66.52 -39.98 88.92 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.212 -0.93 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 75.8 m-20 -64.34 -34.48 78.25 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.642 -0.661 . . . . 0.0 109.853 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 55' ' ' ARG . 29.0 tp -69.68 -26.69 64.49 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.818 -0.551 . . . . 0.0 111.845 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -46.15 72.27 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.897 -1.127 . . . . 0.0 110.313 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 t -52.75 -23.43 6.77 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.3 -0.875 . . . . 0.0 110.585 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 50' ' ' ILE . 5.4 tp -73.83 4.02 5.82 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.394 -0.816 . . . . 0.0 112.276 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 25.4 mmmt 77.54 4.29 3.07 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.666 -0.647 . . . . 0.0 111.911 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 48' ' ' LEU . 66.0 mt -78.65 152.45 77.91 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.71 -1.244 . . . . 0.0 109.386 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.81 171.46 8.25 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 O-C-N 123.55 1.29 . . . . 0.0 109.611 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.36 -30.26 71.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.14 -0.975 . . . . 0.0 110.577 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.11 -27.58 67.14 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.54 -0.725 . . . . 0.0 109.862 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' HD12 ' A' ' 58' ' ' ILE . 13.5 m-85 -100.42 -15.26 18.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.597 -0.689 . . . . 0.0 110.701 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 45' ' ' LEU . 54.7 mtm-85 -70.01 -45.45 67.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.087 -1.008 . . . . 0.0 110.15 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.454 ' CD2' ' HE1' ' A' ' 42' ' ' MET . 74.2 m80 -72.51 -40.04 67.16 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.434 -0.791 . . . . 0.0 111.668 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -66.94 -42.44 85.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.473 -0.767 . . . . 0.0 111.758 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 54' ' ' PHE . 93.3 mt -73.51 -47.59 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.549 -0.719 . . . . 0.0 111.35 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.679 ' HA ' HD12 ' A' ' 62' ' ' ILE . 63.5 t90 -60.05 -37.82 80.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.48 -0.763 . . . . 0.0 111.302 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.82 -40.05 87.12 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.378 -0.826 . . . . 0.0 110.711 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.11 -32.11 69.29 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.0 mt -67.21 -40.07 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.429 -1.042 . . . . 0.0 111.114 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -60.39 -43.33 96.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.334 -0.854 . . . . 0.0 110.26 -179.313 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 90.0 m-20 -59.88 -40.1 87.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.306 -0.872 . . . . 0.0 110.506 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.98 -43.81 94.89 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.523 -0.736 . . . . 0.0 110.132 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.17 -36.79 78.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.627 -0.671 . . . . 0.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -59.9 -38.79 83.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.456 -0.778 . . . . 0.0 110.893 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 O-C-N 121.492 -0.755 . . . . 0.0 110.676 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.784 ' HB3' HD12 ' A' ' 34' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.494 1.775 0 CA-C-O 121.148 0.499 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.6 p -56.81 175.9 0.11 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.426 -0.796 . . . . 0.0 111.307 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.56 -37.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.857 -0.527 . . . . 0.0 110.858 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.48 HG22 HD21 ' A' ' 23' ' ' LEU . 60.1 t -50.14 -51.67 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.289 -0.882 . . . . 0.0 111.176 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -60.79 -40.24 91.89 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.449 -0.782 . . . . 0.0 112.056 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.151 -0.968 . . . . 0.0 111.012 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.46 -40.05 95.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.491 -0.756 . . . . 0.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.92 98.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.585 -0.697 . . . . 0.0 109.576 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -59.98 -31.54 70.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.777 -0.577 . . . . 0.0 110.056 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.3 14.39 16.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.489 -0.757 . . . . 0.0 110.435 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.11 72.91 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.86 142.9 51.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.032 . . . . 0.0 110.732 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.34 26.74 0.24 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.4 p -111.23 -15.49 13.63 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.441 -0.787 . . . . 0.0 111.516 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.61 0.04 41.31 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.163 -0.961 . . . . 0.0 111.301 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.48 HD21 HG22 ' A' ' 11' ' ' VAL . 40.8 tp -60.02 -40.23 88.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.316 -0.865 . . . . 0.0 110.826 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.37 -36.55 63.98 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.38 -0.825 . . . . 0.0 111.904 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.92 -40.0 93.98 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.076 -1.015 . . . . 0.0 110.299 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 50' ' ' ILE . 87.4 m-85 -69.81 -40.01 76.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.422 -0.799 . . . . 0.0 110.626 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.8 p -64.35 -41.37 96.79 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.267 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 m -67.73 -15.14 63.49 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.669 -0.644 . . . . 0.0 111.113 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' CB ' ' CD1' ' A' ' 31' ' ' LEU . 44.5 mm-40 -100.42 -13.45 18.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.109 -0.994 . . . . 0.0 111.997 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 10.63 56.39 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -101.14 114.96 29.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.354 -1.086 . . . . 0.0 109.738 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 33' ' ' THR . 6.9 p -129.91 32.54 4.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.633 -0.667 . . . . 0.0 111.154 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 32' ' ' THR . 1.4 p -155.86 147.81 23.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.19 -0.944 . . . . 0.0 110.702 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 8' ' ' CYS . 96.6 mt -62.57 -40.03 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.687 -0.633 . . . . 0.0 109.96 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 71.9 m-85 -52.95 -23.51 7.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.54 -0.725 . . . . 0.0 111.096 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HB3' HD23 ' A' ' 31' ' ' LEU . 14.4 mm100 -69.96 -36.27 75.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.745 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 62' ' ' ILE . 47.5 pt -99.95 2.28 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.679 -0.638 . . . . 0.0 112.102 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 57.2 mt-10 -59.92 -37.11 78.53 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.881 -1.137 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -92.47 -24.69 18.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.327 -0.858 . . . . 0.0 110.341 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.01 138.63 57.81 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 110.299 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -172.57 2.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.086 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.82 -42.48 97.79 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.514 -0.741 . . . . 0.0 110.502 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -63.63 -39.92 95.59 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.469 -0.769 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -65.67 -37.97 88.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.865 -0.522 . . . . 0.0 111.409 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 55' ' ' ARG . 33.4 tp -63.91 -36.37 83.72 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.561 -0.712 . . . . 0.0 110.534 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.85 74.47 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.366 -0.834 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -50.05 -25.5 3.47 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.233 -0.917 . . . . 0.0 110.739 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 HD11 ' A' ' 50' ' ' ILE . 4.5 tp -75.48 10.35 1.72 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.411 -0.805 . . . . 0.0 112.169 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 74.7 mttt 79.97 -0.16 2.08 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 124.244 1.017 . . . . 0.0 111.914 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 48' ' ' LEU . 70.7 mt -78.58 128.25 78.0 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.004 -1.06 . . . . 0.0 109.337 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.95 166.97 12.99 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 O-C-N 123.575 1.302 . . . . 0.0 110.087 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.3 mt-10 -70.01 -26.11 63.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.191 -0.943 . . . . 0.0 111.535 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.02 -35.62 75.47 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.291 -0.88 . . . . 0.0 110.352 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -95.38 -6.11 41.75 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.55 -0.719 . . . . 0.0 110.375 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' ' 45' ' ' LEU . 12.8 mtp180 -70.94 -39.92 72.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.019 -1.051 . . . . 0.0 110.357 178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.81 -40.06 55.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.554 -0.716 . . . . 0.0 110.913 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.16 74.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.4 -0.812 . . . . 0.0 111.651 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.34 -46.08 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.455 -0.778 . . . . 0.0 111.244 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.612 ' HA ' HD12 ' A' ' 62' ' ' ILE . 47.4 t90 -59.96 -40.04 87.65 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.544 -0.722 . . . . 0.0 111.292 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.381 -0.824 . . . . 0.0 111.454 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.12 -26.8 59.14 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.8 mt -67.09 -35.9 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.56 -0.965 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.94 -51.27 70.41 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.353 -0.842 . . . . 0.0 109.996 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -58.06 -38.09 75.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.584 -0.698 . . . . 0.0 110.383 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -60.09 -39.9 87.73 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.52 -0.737 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.04 -42.44 94.43 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.449 -0.782 . . . . 0.0 111.671 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.18 -36.35 83.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.318 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 0.0 110.484 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 N--CA 1.496 1.868 0 CA-C-O 121.059 0.456 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -59.49 169.76 1.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.014 0.912 . . . . 0.0 111.748 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 31' ' ' LEU . 96.3 mt -68.75 -33.95 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.377 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 23' ' ' LEU . 94.3 t -55.86 -52.32 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.109 -0.995 . . . . 0.0 110.636 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 m -60.02 -40.2 88.5 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.289 -0.882 . . . . 0.0 111.364 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB2' HD11 ' A' ' 34' ' ' ILE . 84.3 t80 -60.02 -40.1 88.15 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.468 -0.77 . . . . 0.0 110.812 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 23' ' ' LEU . 76.8 mt -64.65 -39.89 94.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.609 -0.682 . . . . 0.0 110.67 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.86 92.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.44 -0.787 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -60.08 -29.02 68.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.543 -0.723 . . . . 0.0 110.214 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.668 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -96.52 13.06 29.31 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.596 -0.69 . . . . 0.0 110.112 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.0 27.68 73.05 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.4 m -116.85 152.46 34.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.445 -1.032 . . . . 0.0 110.091 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -173.01 -34.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.226 -0.921 . . . . 0.0 110.268 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -58.21 -26.41 62.8 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.369 -0.832 . . . . 0.0 111.51 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.5 m -90.05 2.69 54.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.173 -0.954 . . . . 0.0 111.224 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 11' ' ' VAL . 54.0 tp -58.87 -39.55 81.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.316 -0.865 . . . . 0.0 110.403 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.98 -37.54 45.4 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.256 -0.902 . . . . 0.0 112.472 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -64.33 -42.48 96.27 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.97 -1.081 . . . . 0.0 111.272 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 50' ' ' ILE . 63.5 m-85 -67.45 -40.0 85.36 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 110.526 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 p -63.7 -41.78 98.07 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -68.68 -14.11 62.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.601 . . . . 0.0 111.328 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -98.95 -13.29 20.02 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.103 -0.998 . . . . 0.0 111.89 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.27 19.98 47.51 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -97.35 112.82 24.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -1.024 . . . . 0.0 109.408 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 p -125.94 27.17 6.42 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.426 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.42 141.75 16.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.039 -1.038 . . . . 0.0 110.808 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 13' ' ' PHE . 93.4 mt -64.38 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -51.85 -22.35 3.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.579 -0.701 . . . . 0.0 110.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.83 -38.21 79.67 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.201 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 43.6 pt -114.63 19.09 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.59 -0.694 . . . . 0.0 112.34 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.97 -30.37 69.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.927 -1.108 . . . . 0.0 110.555 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.65 -6.41 21.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.514 -0.741 . . . . 0.0 111.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 3.0 m-85 -58.74 144.37 43.94 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.116 -0.99 . . . . 0.0 110.712 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -104.49 176.02 5.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 110.192 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 64.0 mtt -60.65 -42.66 97.43 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.502 -0.749 . . . . 0.0 111.184 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -69.96 -39.44 76.0 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.52 -0.737 . . . . 0.0 110.968 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.66 -39.18 90.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.799 -0.563 . . . . 0.0 110.919 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 55' ' ' ARG . 17.3 tp -61.44 -17.39 54.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.589 -0.694 . . . . 0.0 111.401 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.23 72.33 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.192 -0.942 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -50.26 -28.43 7.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.326 -0.859 . . . . 0.0 110.985 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.519 HD23 HD11 ' A' ' 50' ' ' ILE . 3.2 tp -73.59 1.78 9.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.413 -0.804 . . . . 0.0 111.951 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 31.3 mtmt 79.02 4.62 2.34 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 123.452 0.701 . . . . 0.0 112.465 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.7 HD11 ' CE1' ' A' ' 26' ' ' PHE . 74.4 mt -77.5 143.39 68.19 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.051 -1.03 . . . . 0.0 110.098 178.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.54 165.78 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.755 1.397 . . . . 0.0 109.028 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.2 mt-10 -68.92 -20.44 64.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.139 -0.976 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.37 -36.32 79.89 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 122.207 1.004 . . . . 0.0 110.111 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.52 -4.29 27.01 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.869 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.634 ' HG2' HD23 ' A' ' 45' ' ' LEU . 4.1 mtt180 -71.31 -41.74 69.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.949 -1.094 . . . . 0.0 110.337 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 57' ' ' ALA . 9.5 p-80 -83.37 -28.92 28.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.857 . . . . 0.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.668 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.51 -47.91 68.6 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -75.59 -41.03 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.466 -0.771 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -59.89 -34.83 73.7 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.709 -0.619 . . . . 0.0 111.06 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.76 -40.03 86.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.423 -0.798 . . . . 0.0 110.606 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.0 -30.8 69.75 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.6 mm -60.6 -45.62 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.581 -0.952 . . . . 0.0 110.918 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.48 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.425 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 71.6 m-20 -56.63 -38.02 71.53 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.359 -0.838 . . . . 0.0 111.286 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.94 -40.06 87.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.345 -0.847 . . . . 0.0 110.541 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.0 -44.79 94.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.414 -0.804 . . . . 0.0 110.784 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.411 ' OE1' HD11 ' A' ' 63' ' ' LEU . 37.0 mt-30 -59.95 -37.32 79.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.555 -0.716 . . . . 0.0 111.087 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 O-C-N 121.536 -0.728 . . . . 0.0 111.205 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.287 0.565 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p -55.75 175.48 0.08 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.796 0.808 . . . . 0.0 111.645 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.2 mt -67.64 -38.29 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.968 -0.458 . . . . 0.0 111.362 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG22 HD21 ' A' ' 23' ' ' LEU . 95.0 t -50.83 -50.46 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.107 -0.996 . . . . 0.0 111.134 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.244 -0.91 . . . . 0.0 111.378 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.98 -50.03 75.34 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.334 -0.854 . . . . 0.0 111.241 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.63 -39.96 90.17 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.526 -0.734 . . . . 0.0 110.491 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.54 85.41 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.535 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.01 -27.67 67.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.68 . . . . 0.0 110.538 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -95.66 12.87 28.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.406 -0.809 . . . . 0.0 109.994 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.12 29.03 73.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.7 m -123.35 148.29 46.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.483 -1.01 . . . . 0.0 110.505 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.03 31.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.533 -0.73 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -116.73 -19.65 9.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.39 -0.819 . . . . 0.0 111.164 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -96.7 1.31 50.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HG22 ' A' ' 11' ' ' VAL . 33.8 tp -59.92 -40.22 88.14 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.253 -0.904 . . . . 0.0 111.062 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -54.56 -36.24 64.12 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.359 -0.838 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -63.83 -42.11 97.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.142 -0.974 . . . . 0.0 111.199 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -65.74 -42.76 90.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.242 -0.911 . . . . 0.0 109.956 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 p -64.64 -39.96 94.61 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.471 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -66.78 -18.85 65.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.652 -0.655 . . . . 0.0 111.221 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -100.99 -8.27 22.54 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 112.329 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.67 0.37 56.55 Favored Glycine 0 N--CA 1.501 3.009 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.825 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.686 HD23 ' CD ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -96.25 111.47 23.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.316 -1.108 . . . . 0.0 109.433 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 10' ' ' ILE . 68.6 p -131.38 21.27 4.77 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.538 -0.726 . . . . 0.0 112.481 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 82.2 p -139.95 150.66 44.78 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.723 -1.235 . . . . 0.0 110.595 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.6 -25.08 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.423 -0.798 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -69.92 -39.29 76.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 112.163 -178.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.686 ' CD ' HD23 ' A' ' 31' ' ' LEU . 7.9 pt20 -67.75 -23.74 65.27 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.049 -1.032 . . . . 0.0 110.688 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.2 pt -88.08 11.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 83.9 mt-10 -59.94 -37.37 79.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.266 -0.896 . . . . 0.0 112.031 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.503 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.2 p80 -104.5 -12.61 16.4 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.142 -0.974 . . . . 0.0 111.78 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 16.7 m-85 -59.98 140.47 56.72 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -0.967 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 m -107.34 175.87 5.35 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 56' ' ' HIS . 92.8 mtp -60.17 -43.85 95.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.554 -0.716 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.53 -0.731 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -66.18 -33.01 74.8 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.489 0.661 . . . . 0.0 109.799 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 55' ' ' ARG . 29.9 tp -66.81 -30.84 71.13 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.803 -0.561 . . . . 0.0 111.616 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.27 72.05 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.126 -0.984 . . . . 0.0 110.311 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -50.24 -25.65 3.9 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.398 -0.814 . . . . 0.0 110.551 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -74.09 4.51 5.43 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.571 -0.706 . . . . 0.0 111.898 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 39.2 mtmt 74.96 9.7 3.94 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.822 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 48' ' ' LEU . 86.3 mt -78.61 141.56 60.59 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 120.991 -1.068 . . . . 0.0 109.775 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.14 170.18 18.82 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.738 1.388 . . . . 0.0 109.2 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.95 -28.67 65.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.058 -1.026 . . . . 0.0 110.216 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.96 -27.28 66.69 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.722 -0.611 . . . . 0.0 110.244 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -102.5 -9.56 20.1 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.517 -0.739 . . . . 0.0 111.075 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.632 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.8 mtm105 -70.03 -46.76 64.38 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.977 -1.077 . . . . 0.0 110.712 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB3' ' HE1' ' A' ' 42' ' ' MET . 29.5 p80 -81.53 -26.64 34.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.408 -0.807 . . . . 0.0 110.806 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -44.01 70.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.458 -0.776 . . . . 0.0 109.878 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.43 -42.03 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.493 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.0 t90 -60.01 -38.0 81.37 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.573 -0.704 . . . . 0.0 110.768 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.02 -40.12 88.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.538 -0.726 . . . . 0.0 110.851 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.69 69.59 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.8 mt -67.08 -40.06 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.46 -1.024 . . . . 0.0 110.997 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.0 -48.12 83.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.336 -0.852 . . . . 0.0 110.766 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.92 -39.56 85.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.477 -0.764 . . . . 0.0 110.675 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.55 -0.719 . . . . 0.0 110.401 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.56 -40.01 80.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.338 -0.851 . . . . 0.0 110.757 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.92 -40.36 96.28 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.307 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.8 pp . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 34' ' ' ILE . 14.5 m . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 120.548 0.213 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -61.78 -165.15 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.199 -0.938 . . . . 0.0 110.588 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 26' ' ' PHE . 92.8 mt -69.94 -38.47 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.609 -0.682 . . . . 0.0 111.748 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 23' ' ' LEU . 65.8 t -54.43 -56.87 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.074 -1.016 . . . . 0.0 111.217 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -60.02 -40.05 87.93 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.213 -0.929 . . . . 0.0 111.32 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.808 ' HB2' HD11 ' A' ' 34' ' ' ILE . 79.8 t80 -59.95 -43.36 95.07 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.474 -0.766 . . . . 0.0 111.428 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.93 -39.99 87.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.356 -0.84 . . . . 0.0 110.64 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.2 90.2 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.562 -0.711 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -60.42 -27.93 67.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.812 -0.555 . . . . 0.0 110.568 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 27.0 tp -99.67 13.97 31.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.479 -0.763 . . . . 0.0 110.709 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.38 29.46 73.1 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.84 148.13 42.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.607 -0.937 . . . . 0.0 109.688 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 p -171.18 -35.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.411 -0.805 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.7 p -60.26 -21.66 62.14 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.475 -0.765 . . . . 0.0 110.967 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.76 0.0 57.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.249 -0.907 . . . . 0.0 110.848 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 11' ' ' VAL . 62.7 tp -60.02 -40.58 89.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.369 -0.832 . . . . 0.0 110.952 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.37 -37.39 67.46 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.34 -0.85 . . . . 0.0 112.104 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.54 -41.59 97.57 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.03 -1.044 . . . . 0.0 110.213 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD1' HD13 ' A' ' 10' ' ' ILE . 59.6 m-85 -65.18 -39.91 93.56 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.388 -0.82 . . . . 0.0 110.303 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -68.95 -39.94 79.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.679 -0.638 . . . . 0.0 110.281 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.7 m -65.38 -20.49 66.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 111.301 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -99.55 -4.7 30.57 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.192 -0.943 . . . . 0.0 112.638 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.43 73.63 Favored Glycine 0 N--CA 1.499 2.856 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.268 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.62 119.34 38.62 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -1.09 . . . . 0.0 109.433 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.448 ' CA ' HD12 ' A' ' 10' ' ' ILE . 1.8 p -125.37 -26.79 3.55 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.95 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.17 159.86 16.01 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.809 -1.182 . . . . 0.0 111.823 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 13' ' ' PHE . 98.2 mt -69.87 -31.59 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.843 -0.536 . . . . 0.0 110.402 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 37.4 m-85 -58.27 -26.79 63.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.428 -0.795 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -70.04 -34.28 73.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 109.249 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.6 pt -100.03 9.97 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.723 -0.61 . . . . 0.0 112.079 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.97 -35.44 74.98 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.957 -1.09 . . . . 0.0 110.48 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -94.45 -21.56 18.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.431 -0.793 . . . . 0.0 110.421 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 7.8 m-85 -60.83 134.08 56.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.06 -171.24 2.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.5 mtp -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.401 0.619 . . . . 0.0 109.739 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.1 -39.92 86.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.666 -0.646 . . . . 0.0 110.516 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.2 m-20 -64.34 -34.8 78.99 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.815 -0.553 . . . . 0.0 110.719 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 55' ' ' ARG . 60.2 tp -69.8 -26.46 64.27 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.576 -0.702 . . . . 0.0 110.997 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.18 84.48 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.236 -0.915 . . . . 0.0 110.013 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -54.35 -22.55 12.5 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.375 -0.828 . . . . 0.0 110.475 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.3 2.96 5.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.484 -0.76 . . . . 0.0 111.912 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 59.3 mttm 75.2 6.96 4.17 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 121.508 -0.745 . . . . 0.0 112.003 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 45' ' ' LEU . 79.1 mt -78.45 144.75 66.45 Favored Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 0.0 109.169 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.43 172.29 13.57 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 O-C-N 123.737 1.388 . . . . 0.0 109.241 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.01 -31.95 69.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.035 -1.04 . . . . 0.0 110.792 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -59.88 -22.83 62.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.588 -0.695 . . . . 0.0 110.22 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.52 -10.27 19.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 110.893 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 45' ' ' LEU . 13.9 mtm180 -71.12 -45.41 63.67 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.935 -1.103 . . . . 0.0 110.492 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.8 -28.91 40.18 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.534 -0.729 . . . . 0.0 110.851 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.57 71.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.557 -0.714 . . . . 0.0 110.372 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.55 -44.03 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.62 -0.675 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 1.9 t90 -60.04 -39.67 86.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.656 -0.653 . . . . 0.0 110.739 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.686 -0.634 . . . . 0.0 111.111 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.39 -29.81 74.58 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.6 mt -63.26 -37.77 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.549 -0.971 . . . . 0.0 110.415 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.99 -46.87 88.06 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.356 -0.84 . . . . 0.0 110.082 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.562 -0.712 . . . . 0.0 110.423 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -60.0 -41.79 92.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.371 -0.831 . . . . 0.0 110.113 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.83 -38.4 90.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.776 -0.578 . . . . 0.0 110.787 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -35.76 75.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.495 -0.753 . . . . 0.0 111.288 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 O-C-N 121.503 -0.748 . . . . 0.0 110.704 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' THR . 46.4 t . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 120.956 0.408 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 1.8 p -163.38 158.12 20.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 108.955 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 99.0 mt -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.286 -0.884 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 23' ' ' LEU . 81.2 t -56.38 -45.79 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.487 -0.758 . . . . 0.0 110.484 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -60.21 -43.66 95.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.443 -0.785 . . . . 0.0 111.549 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.471 -0.768 . . . . 0.0 111.331 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.83 -40.1 94.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.539 -0.726 . . . . 0.0 110.671 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.8 93.93 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.374 -0.829 . . . . 0.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -60.63 -27.78 68.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.653 -0.655 . . . . 0.0 110.244 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 tp -96.07 11.13 35.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.444 -0.785 . . . . 0.0 109.998 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.95 30.1 72.36 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -125.12 146.31 49.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.598 -0.942 . . . . 0.0 111.097 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.15 28.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.233 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -111.15 -18.82 12.9 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.476 -0.765 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.01 4.27 54.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.303 -0.873 . . . . 0.0 111.242 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 11' ' ' VAL . 65.9 tp -58.98 -41.08 86.71 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.993 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -55.28 -37.59 67.49 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.157 -0.964 . . . . 0.0 112.829 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -65.12 -40.59 94.68 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.014 -1.054 . . . . 0.0 111.499 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 83.5 m-85 -69.97 -40.06 75.62 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.326 -0.859 . . . . 0.0 110.465 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -64.82 -45.34 86.6 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.572 -0.705 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.08 -14.14 61.23 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.494 -0.754 . . . . 0.0 111.414 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -101.11 -10.24 20.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.042 -1.036 . . . . 0.0 112.344 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.37 3.64 56.45 Favored Glycine 0 N--CA 1.499 2.873 0 C-N-CA 119.964 -1.112 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 36' ' ' GLN . 4.2 mp -100.35 114.25 27.61 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.223 -1.163 . . . . 0.0 109.317 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -114.94 -20.35 10.57 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 119.602 -0.839 . . . . 0.0 112.151 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -111.52 159.74 17.82 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.994 -1.066 . . . . 0.0 112.138 -178.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.1 -30.96 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.224 0.535 . . . . 0.0 110.146 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.433 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 30.8 m-85 -58.12 -25.07 60.93 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.717 -0.614 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.6 mm100 -69.98 -30.64 68.03 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 62' ' ' ILE . 30.6 pt -103.01 5.41 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.638 -0.664 . . . . 0.0 112.233 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 41.7 mm-40 -60.34 -34.46 73.88 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.904 -1.123 . . . . 0.0 111.182 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -91.81 -24.89 19.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.385 -0.822 . . . . 0.0 111.091 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 19.7 m-85 -59.8 136.25 57.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.584 -0.698 . . . . 0.0 110.777 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 m -98.25 -174.34 2.82 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.412 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 96.2 mtp -62.72 -39.96 95.69 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.364 -0.835 . . . . 0.0 110.86 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -68.8 -40.04 79.79 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 87.5 m-20 -62.72 -36.96 84.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.913 -0.492 . . . . 0.0 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 55' ' ' ARG . 23.3 tp -64.44 -35.01 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.527 -0.733 . . . . 0.0 110.756 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -53.56 -47.04 70.43 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.9 p -50.36 -27.34 6.12 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.459 -0.776 . . . . 0.0 110.845 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -76.86 14.69 0.79 Allowed 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.298 -0.876 . . . . 0.0 112.648 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 94.1 mttt 78.84 0.02 2.44 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 124.081 0.952 . . . . 0.0 112.183 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 mt -78.4 140.77 60.64 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.122 . . . . 0.0 109.242 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.65 173.32 14.1 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.659 1.347 . . . . 0.0 109.101 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -70.03 -22.43 63.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.041 -1.037 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.424 -0.797 . . . . 0.0 110.105 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -99.63 0.04 41.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 110.396 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.666 ' HD2' ' HB2' ' A' ' 46' ' ' ALA . 12.3 mtp180 -74.99 -40.48 60.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.87 -1.144 . . . . 0.0 110.163 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -82.76 -31.86 28.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.493 -0.754 . . . . 0.0 110.305 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -45.55 67.96 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.12 -47.41 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.753 -0.592 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.1 t90 -59.97 -38.21 81.86 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.494 -0.754 . . . . 0.0 111.512 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.11 -40.09 88.46 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.38 -0.825 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.76 69.85 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 37' ' ' ILE . 88.8 mt -67.28 -39.21 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.528 -0.984 . . . . 0.0 110.672 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.87 -48.94 79.67 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.39 -0.819 . . . . 0.0 110.574 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -60.41 -40.82 92.34 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.336 -0.852 . . . . 0.0 110.495 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -62.45 -34.76 77.44 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 110.651 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -59.88 -36.18 76.39 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.685 -0.634 . . . . 0.0 111.337 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' C ' HD12 ' A' ' 68' ' ' LEU . 1.1 pp . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.264 -0.897 . . . . 0.0 110.367 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.124 0.487 . . . . 0.0 109.886 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -58.17 171.47 0.55 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.492 -0.755 . . . . 0.0 110.965 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.0 mt -66.95 -36.79 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.88 -0.513 . . . . 0.0 111.383 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG22 HD21 ' A' ' 23' ' ' LEU . 65.1 t -50.06 -54.95 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.124 -0.985 . . . . 0.0 111.749 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -60.04 -40.03 87.95 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 111.611 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.97 -48.55 81.24 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.289 -0.882 . . . . 0.0 111.489 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 23' ' ' LEU . 91.6 mt -60.16 -39.88 87.96 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.339 -0.851 . . . . 0.0 110.45 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.76 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.546 -0.721 . . . . 0.0 109.791 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -60.07 -30.47 69.25 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.732 -0.605 . . . . 0.0 110.038 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 57' ' ' ALA . 14.3 tp -93.8 15.17 17.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.607 -0.683 . . . . 0.0 109.906 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.5 27.92 72.45 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.17 144.9 50.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -1.025 . . . . 0.0 110.656 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.73 32.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.6 -0.688 . . . . 0.0 109.48 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -109.82 -25.22 10.45 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.602 -0.687 . . . . 0.0 110.919 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -95.5 1.55 54.01 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.455 -0.778 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 HD12 ' A' ' 14' ' ' LEU . 41.1 tp -59.94 -40.33 88.57 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.314 -0.866 . . . . 0.0 110.64 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -51.43 -34.52 35.33 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.835 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -68.05 -39.96 82.91 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.174 -0.954 . . . . 0.0 111.084 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' A' ' 50' ' ' ILE . 78.1 m-85 -66.45 -44.43 82.85 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.217 -0.927 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 28' ' ' THR . 9.1 t -68.71 -39.99 80.21 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.719 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.405 ' N ' HG23 ' A' ' 27' ' ' THR . 63.4 m -66.16 -19.66 65.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.581 -0.7 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -99.85 -5.12 29.02 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.223 -0.923 . . . . 0.0 111.98 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.63 -4.95 64.17 Favored Glycine 0 N--CA 1.5 2.917 0 O-C-N 120.982 -1.074 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 5.5 mp -91.52 111.31 22.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -1.158 . . . . 0.0 109.468 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 45.0 p -132.3 29.43 4.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.663 -0.648 . . . . 0.0 111.013 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 p -148.5 151.46 35.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.203 -0.936 . . . . 0.0 110.408 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.486 -0.758 . . . . 0.0 109.782 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -53.34 -25.39 14.98 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.552 -0.718 . . . . 0.0 110.712 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.03 -33.82 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.611 -0.681 . . . . 0.0 109.883 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 pt -102.08 5.89 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.495 -0.753 . . . . 0.0 112.417 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.01 -37.77 80.7 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.882 -1.136 . . . . 0.0 111.345 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -95.58 -21.15 18.43 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.277 -0.889 . . . . 0.0 111.26 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -61.64 140.02 58.21 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.391 -0.818 . . . . 0.0 110.464 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -99.86 -175.68 3.03 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 109.619 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.7 mtp -61.58 -41.37 97.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.654 -0.654 . . . . 0.0 110.738 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.14 -40.0 82.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.345 -0.847 . . . . 0.0 110.701 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.67 -37.49 84.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.743 -0.598 . . . . 0.0 110.804 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' A' ' 55' ' ' ARG . 33.6 tp -65.47 -23.28 66.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.551 -0.718 . . . . 0.0 111.002 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.26 83.91 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.113 -0.992 . . . . 0.0 110.346 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.0 p -51.52 -23.08 3.68 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.373 -0.829 . . . . 0.0 111.023 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD23 HD11 ' A' ' 50' ' ' ILE . 15.1 tp -74.88 8.88 2.17 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.199 -0.938 . . . . 0.0 112.301 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mtpt 78.32 -0.16 2.59 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 123.624 0.77 . . . . 0.0 112.14 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 48' ' ' LEU . 86.4 mt -76.94 134.35 68.43 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.022 -1.049 . . . . 0.0 109.571 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.43 169.65 16.64 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 O-C-N 123.61 1.321 . . . . 0.0 109.555 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 86.4 tt0 -67.08 -21.89 65.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.262 -0.899 . . . . 0.0 111.164 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.99 -35.5 75.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.408 -0.808 . . . . 0.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -101.0 -2.58 31.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.405 -0.809 . . . . 0.0 111.287 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' A' ' 45' ' ' LEU . 21.3 mtm180 -70.0 -43.67 70.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.928 -1.107 . . . . 0.0 109.536 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.85 -23.26 36.5 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -70.07 -47.36 62.26 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.365 -0.834 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.34 -39.93 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.772 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.541 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.3 t90 -60.69 -40.05 90.77 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 111.219 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.467 -0.771 . . . . 0.0 110.377 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.28 69.61 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.9 mt -64.43 -40.17 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.167 -1.196 . . . . 0.0 111.456 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.05 -51.32 70.15 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.958 -1.089 . . . . 0.0 110.802 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -60.02 -39.17 84.93 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.509 -0.745 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 86.3 t60 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.716 -0.615 . . . . 0.0 110.382 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -69.88 -37.21 75.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.464 -0.773 . . . . 0.0 112.039 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.68 -39.64 85.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.601 -0.687 . . . . 0.0 111.87 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp . . . . . 0 N--CA 1.499 2.008 0 O-C-N 121.108 -0.995 . . . . 0.0 110.511 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.8 t . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 24.5 p -59.39 170.13 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.849 0.833 . . . . 0.0 111.725 -177.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.1 mt -68.84 -35.88 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.201 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 23' ' ' LEU . 64.1 t -50.08 -56.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 121.198 -0.939 . . . . 0.0 111.575 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.423 -0.798 . . . . 0.0 111.679 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.94 -48.72 80.55 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.358 -0.839 . . . . 0.0 111.678 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.96 -37.54 79.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.85 91.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.391 -0.818 . . . . 0.0 109.714 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.5 -23.74 64.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.579 -0.701 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 57' ' ' ALA . 16.0 tp -102.59 14.65 31.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.77 28.94 74.1 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -119.23 147.07 44.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.565 -0.962 . . . . 0.0 109.704 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 -36.8 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.366 -0.833 . . . . 0.0 110.087 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.0 m -52.32 -23.96 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.576 -0.703 . . . . 0.0 111.783 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.29 0.07 56.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.152 -0.967 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD11 HG22 ' A' ' 11' ' ' VAL . 41.1 tp -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.232 -0.917 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.05 -34.61 30.54 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.447 -0.783 . . . . 0.0 111.84 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -68.19 -39.9 82.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.123 -0.986 . . . . 0.0 111.066 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -66.2 -41.27 90.4 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.188 -0.945 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -65.04 -40.02 94.2 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -66.36 -18.3 65.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.757 -0.589 . . . . 0.0 111.263 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.15 -11.64 19.41 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.114 -0.991 . . . . 0.0 112.068 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.01 10.72 59.53 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -104.29 118.22 36.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.4 p -125.5 -25.57 3.71 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.928 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 34.9 p -98.9 146.82 25.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.977 -1.077 . . . . 0.0 111.676 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 8' ' ' CYS . 96.5 mt -62.04 -39.96 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.767 -0.583 . . . . 0.0 109.711 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -51.43 -24.91 5.46 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.521 -0.737 . . . . 0.0 111.014 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.586 ' HB3' HD23 ' A' ' 31' ' ' LEU . 6.9 mm100 -69.02 -38.97 79.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.437 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 39.5 pt -100.81 5.56 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.664 -0.648 . . . . 0.0 112.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 -32.74 71.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.957 -1.089 . . . . 0.0 110.474 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.9 -23.69 18.0 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.525 -0.735 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 22.7 m-85 -58.76 143.03 48.42 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 m -99.26 176.05 5.67 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.05 -42.9 95.44 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.17 -39.97 92.12 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.58 -32.77 74.32 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.778 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.792 HD23 ' HG2' ' A' ' 55' ' ' ARG . 47.0 tp -67.04 -39.95 87.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.776 -0.578 . . . . 0.0 110.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -55.94 -49.5 73.32 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -51.1 -24.3 3.89 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.274 -0.891 . . . . 0.0 110.823 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 2.5 tp -76.97 13.79 0.99 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.348 -0.845 . . . . 0.0 112.183 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 88.4 mttt 79.55 -0.91 2.2 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 124.201 1.0 . . . . 0.0 111.848 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 45' ' ' LEU . 53.3 mt -78.21 132.62 66.15 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.015 -1.053 . . . . 0.0 109.478 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.52 153.56 76.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 O-C-N 123.752 1.396 . . . . 0.0 109.538 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 20.5 pt-20 -66.34 -15.27 63.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.064 -1.022 . . . . 0.0 111.557 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -60.12 -37.22 79.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.147 -0.971 . . . . 0.0 109.712 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.95 3.15 44.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 110.52 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.792 ' HG2' HD23 ' A' ' 45' ' ' LEU . 16.6 mtp180 -70.59 -48.11 56.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.981 -1.074 . . . . 0.0 110.068 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -81.68 -29.13 33.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 109.975 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.611 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.83 -47.41 78.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.767 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.85 -40.26 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.601 -0.687 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.717 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.9 t90 -60.0 -36.07 76.4 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.389 -0.819 . . . . 0.0 110.92 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.89 -40.13 87.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.453 -0.779 . . . . 0.0 110.877 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.2 76.55 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 59' ' ' TRP . 88.6 mt -65.45 -37.41 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.546 -0.973 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -49.44 77.66 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.281 -0.887 . . . . 0.0 110.05 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -59.92 -37.66 80.13 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 110.114 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.462 ' HA ' HD21 ' A' ' 68' ' ' LEU . 80.3 t60 -60.04 -39.91 87.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.606 -0.684 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -71.57 -39.95 70.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.488 -0.758 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.675 -0.641 . . . . 0.0 112.084 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.5 pp . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.042 -1.036 . . . . 0.0 110.18 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.877 0.37 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 80.6 p -61.0 170.04 1.73 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.118 -0.989 . . . . 0.0 111.809 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 26' ' ' PHE . 86.6 mt -70.09 -21.68 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.755 -0.591 . . . . 0.0 110.654 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 23' ' ' LEU . 91.0 t -63.33 -56.01 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.815 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 110.98 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' A' ' 58' ' ' ILE . 87.8 t80 -59.96 -48.24 82.52 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.409 -0.807 . . . . 0.0 110.686 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.92 -40.11 87.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.499 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.5 96.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.01 -30.82 69.4 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.896 -0.502 . . . . 0.0 110.025 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 17' ' ' LEU . 19.3 tp -92.27 15.4 13.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.659 -0.651 . . . . 0.0 110.043 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.92 26.62 69.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.3 m -124.84 134.8 52.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.55 -0.97 . . . . 0.0 110.775 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -151.87 21.7 0.69 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.506 -0.746 . . . . 0.0 110.195 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -100.04 -19.43 16.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.337 -0.852 . . . . 0.0 111.103 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -97.09 1.84 50.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.308 -0.87 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 11' ' ' VAL . 61.7 tp -58.81 -41.09 85.97 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.265 -0.897 . . . . 0.0 110.384 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.19 -36.96 61.52 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.418 -0.801 . . . . 0.0 111.814 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 87.8 m-85 -64.25 -43.17 95.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.069 -1.019 . . . . 0.0 111.484 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD1' HD13 ' A' ' 10' ' ' ILE . 75.4 m-85 -69.83 -41.11 75.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.082 -1.011 . . . . 0.0 111.571 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 28' ' ' THR . 9.0 t -69.75 -39.96 76.42 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.015 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 27' ' ' THR . 86.3 m -65.85 -20.9 66.4 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.636 -0.665 . . . . 0.0 110.697 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -98.62 -7.29 28.29 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.217 -0.927 . . . . 0.0 112.048 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.28 -2.02 67.78 Favored Glycine 0 N--CA 1.5 2.905 0 C-N-CA 120.01 -1.09 . . . . 0.0 110.49 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -89.55 112.39 23.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.406 -1.055 . . . . 0.0 108.816 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 33' ' ' THR . 76.3 p -127.58 30.48 5.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.633 -0.667 . . . . 0.0 111.816 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -158.87 148.17 18.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 110.882 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.96 -38.71 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -52.31 -22.88 4.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.617 -0.677 . . . . 0.0 110.83 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.88 -34.63 73.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.492 -0.755 . . . . 0.0 109.226 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.96 16.73 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.66 -0.65 . . . . 0.0 112.276 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.97 -34.95 73.98 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -100.21 -14.63 18.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.447 -0.783 . . . . 0.0 110.828 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.2 144.22 50.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.278 -0.889 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -102.97 177.45 4.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 109.954 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.02 -40.95 91.07 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.505 -0.747 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -67.31 -40.0 85.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.498 -0.751 . . . . 0.0 110.419 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.5 -37.51 87.79 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.338 0.59 . . . . 0.0 110.704 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.698 HD23 ' HG2' ' A' ' 55' ' ' ARG . 39.5 tp -66.59 -26.51 67.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.593 -0.692 . . . . 0.0 111.003 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.92 70.6 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.271 -0.893 . . . . 0.0 110.165 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.2 p -52.33 -24.65 7.92 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.316 -0.865 . . . . 0.0 110.473 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 50' ' ' ILE . 6.0 tp -74.4 3.8 6.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.521 -0.737 . . . . 0.0 111.657 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 7.6 mtmt 80.01 5.61 1.84 Allowed 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 123.449 0.7 . . . . 0.0 111.769 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.548 ' CD1' HD11 ' A' ' 45' ' ' LEU . 67.4 mt -77.53 144.23 69.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.991 -1.068 . . . . 0.0 109.883 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -79.96 160.43 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 O-C-N 123.641 1.337 . . . . 0.0 109.227 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 86.4 tt0 -63.08 -28.65 70.23 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.099 -1.0 . . . . 0.0 110.272 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -59.95 -31.42 69.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.625 -0.672 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.63 -14.56 18.1 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.731 -0.606 . . . . 0.0 110.998 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.698 ' HG2' HD23 ' A' ' 45' ' ' LEU . 26.7 mtm180 -68.67 -44.1 74.77 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 17.7 p80 -81.04 -26.41 36.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.275 -0.89 . . . . 0.0 110.965 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.98 70.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.359 -0.838 . . . . 0.0 109.827 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' HE2' ' A' ' 13' ' ' PHE . 86.2 mt -72.19 -41.64 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.609 -0.682 . . . . 0.0 110.297 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.816 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.6 t90 -60.02 -38.73 83.56 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.555 -0.715 . . . . 0.0 111.061 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 0.0 110.7 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.45 -31.29 73.77 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.9 mt -64.41 -38.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.937 . . . . 0.0 110.639 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.09 -48.62 80.97 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.308 -0.87 . . . . 0.0 110.451 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -59.95 -40.01 87.52 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.458 -0.776 . . . . 0.0 110.628 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HA ' HD23 ' A' ' 68' ' ' LEU . 85.7 t60 -60.03 -44.57 94.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.498 -0.751 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -62.16 -40.05 94.72 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.43 -39.98 89.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.816 -0.553 . . . . 0.0 112.023 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 65' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.212 -0.93 . . . . 0.0 110.747 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.446 0.641 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -61.91 -169.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.751 -0.593 . . . . 0.0 111.001 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.03 -23.28 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.619 -0.675 . . . . 0.0 110.994 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -63.95 -57.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.256 -0.903 . . . . 0.0 109.312 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 m -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.712 -0.618 . . . . 0.0 111.339 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -59.33 -48.79 80.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 111.238 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.34 -40.01 93.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 110.56 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.26 86.55 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.427 -0.796 . . . . 0.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -59.97 -29.47 68.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.712 -0.618 . . . . 0.0 110.326 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 57' ' ' ALA . 15.8 tp -94.91 15.28 19.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.484 -0.76 . . . . 0.0 110.342 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.89 73.53 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.5 m -120.92 141.15 50.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.489 -1.007 . . . . 0.0 110.503 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.29 34.33 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.465 -0.772 . . . . 0.0 109.313 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.07 -25.79 7.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.534 -0.729 . . . . 0.0 110.884 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.3 m -95.92 6.58 48.53 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.372 -0.83 . . . . 0.0 111.481 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.43 -39.99 81.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.243 -0.911 . . . . 0.0 109.943 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.92 -39.53 74.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.51 -0.744 . . . . 0.0 112.404 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -62.08 -42.62 99.39 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.878 -1.139 . . . . 0.0 111.013 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.15 -40.0 93.78 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -67.99 -39.96 83.17 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.246 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -65.3 -20.08 66.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.688 . . . . 0.0 111.336 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -100.91 -7.99 22.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.113 -0.992 . . . . 0.0 112.25 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.45 57.49 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.985 -1.072 . . . . 0.0 110.844 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.18 112.02 23.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.257 -1.143 . . . . 0.0 109.755 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -129.66 25.98 5.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.521 -0.737 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -149.58 147.52 28.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.144 -0.972 . . . . 0.0 110.315 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.2 -27.78 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 110.257 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 27.8 m-85 -59.98 -28.6 67.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.54 -0.725 . . . . 0.0 110.318 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 9.1 mm100 -69.98 -31.28 68.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.553 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 62' ' ' ILE . 29.4 pt -101.84 11.23 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.293 -0.879 . . . . 0.0 112.35 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 78.1 mt-10 -59.96 -38.73 83.32 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.908 -1.12 . . . . 0.0 112.125 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.8 p80 -101.77 -8.76 21.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.022 -1.049 . . . . 0.0 111.513 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 14.2 m-85 -60.7 137.96 58.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.218 -0.926 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -100.71 176.17 5.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.636 . . . . 0.0 109.549 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.17 -39.98 88.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.426 -0.796 . . . . 0.0 110.417 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -69.08 -39.97 78.74 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.519 -0.738 . . . . 0.0 110.656 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.91 -38.3 90.42 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.77 -0.581 . . . . 0.0 111.123 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.616 ' HG ' HD12 ' A' ' 50' ' ' ILE . 35.2 tp -65.08 -22.78 67.01 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.521 -0.737 . . . . 0.0 110.749 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.44 -47.26 76.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.232 -0.917 . . . . 0.0 110.067 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -51.48 -25.51 6.62 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.4 -0.812 . . . . 0.0 110.205 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.06 1.95 8.02 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.636 -0.665 . . . . 0.0 111.821 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 36.4 mtmt 79.56 5.93 2.0 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.501 0.72 . . . . 0.0 112.018 179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.616 HD12 ' HG ' ' A' ' 45' ' ' LEU . 84.2 mt -77.53 134.26 66.17 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.107 -0.995 . . . . 0.0 110.053 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.71 166.79 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 N-CA-C 108.621 -1.338 . . . . 0.0 108.621 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.6 mt-10 -66.21 -27.79 68.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.991 -1.068 . . . . 0.0 110.778 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -30.43 69.43 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.543 -0.723 . . . . 0.0 110.141 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.54 -17.54 17.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.4 mtm180 -65.78 -40.01 91.55 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.116 -0.99 . . . . 0.0 110.947 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 20.0 p80 -81.64 -30.66 32.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.259 -0.901 . . . . 0.0 111.513 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.201 -0.937 . . . . 0.0 110.381 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.36 -44.0 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.7 -0.625 . . . . 0.0 110.98 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.8 t90 -60.1 -40.49 89.83 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.355 -0.841 . . . . 0.0 112.33 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -59.95 -39.58 86.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 111.469 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.82 -29.13 72.63 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.5 mt -68.41 -40.67 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.345 -1.091 . . . . 0.0 111.325 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -48.82 80.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.26 -0.9 . . . . 0.0 110.586 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.633 -0.667 . . . . 0.0 111.021 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.97 -41.4 91.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -60.03 -42.77 95.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.632 -0.668 . . . . 0.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -33.06 71.5 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.72 -0.612 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.304 -1.371 0 O-C-N 121.698 -0.626 . . . . 0.0 110.425 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo . . . . . 0 N--CA 1.488 1.158 0 N-CA-C 110.273 -0.703 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 m -73.89 130.05 39.13 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.58 -0.7 . . . . 0.0 109.74 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -140.33 153.64 46.5 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.54 -0.725 . . . . 0.0 110.3 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 p -99.92 17.4 21.0 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.532 -0.73 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.4 p -61.28 177.13 0.39 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.321 -0.862 . . . . 0.0 111.243 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.1 mt -68.57 -34.32 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.91 -0.493 . . . . 0.0 111.12 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.2 t -51.42 -56.73 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 O-C-N 121.107 -0.996 . . . . 0.0 111.123 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.0 m -59.95 -39.37 85.34 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.423 -0.798 . . . . 0.0 110.938 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -59.92 -40.83 90.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.509 -0.745 . . . . 0.0 111.476 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.96 -40.04 94.4 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.265 -0.897 . . . . 0.0 110.483 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.0 94.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.47 -0.769 . . . . 0.0 109.513 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.0 -32.18 70.62 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.216 0.532 . . . . 0.0 110.265 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.5 tp -92.73 13.97 18.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.555 -0.716 . . . . 0.0 110.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.64 27.51 72.7 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.8 m -126.53 144.23 50.94 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.451 -1.029 . . . . 0.0 111.023 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -161.13 28.23 0.14 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.577 -0.702 . . . . 0.0 110.098 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -110.76 -19.72 12.74 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.457 -0.777 . . . . 0.0 111.53 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.2 m -95.07 -0.03 53.95 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.185 -0.947 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.99 -40.13 88.11 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.225 -0.922 . . . . 0.0 110.683 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -53.6 -38.52 64.05 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.217 -0.927 . . . . 0.0 112.302 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.88 -39.98 93.82 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.823 -1.173 . . . . 0.0 110.094 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' CE2' HD11 ' A' ' 50' ' ' ILE . 59.3 m-85 -65.13 -40.0 93.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.404 -0.81 . . . . 0.0 110.774 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.4 p -62.08 -48.51 79.89 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.69 -0.631 . . . . 0.0 111.037 -178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 29' ' ' GLN . 6.4 t -68.83 -9.7 52.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.322 -0.862 . . . . 0.0 111.74 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 28' ' ' THR . 25.5 mm-40 -98.33 -14.14 20.36 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.941 -1.099 . . . . 0.0 111.623 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.37 13.98 52.31 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.647 HD23 ' HB3' ' A' ' 36' ' ' GLN . 1.3 mp -109.25 116.5 32.01 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.362 -1.081 . . . . 0.0 109.517 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -134.33 29.83 3.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.518 -0.739 . . . . 0.0 111.862 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.3 p -149.5 143.03 25.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.055 -1.028 . . . . 0.0 110.805 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.3 tt -59.23 -31.07 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -60.01 -26.28 65.95 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.647 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.0 mm100 -69.96 -26.88 64.32 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.532 -0.73 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.443 HD12 HD11 ' A' ' 62' ' ' ILE . 44.8 pt -109.29 11.53 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.47 -0.768 . . . . 0.0 112.476 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -60.03 -39.89 87.45 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.883 -1.136 . . . . 0.0 112.299 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -102.12 -8.96 20.94 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.034 -1.041 . . . . 0.0 112.287 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -60.09 140.09 57.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.158 -0.964 . . . . 0.0 110.388 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 t -100.73 -176.61 3.23 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.645 -0.659 . . . . 0.0 109.52 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.5 mtp -64.36 -40.94 96.83 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 120.099 -0.641 . . . . 0.0 110.78 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.28 -39.92 78.09 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.129 -0.982 . . . . 0.0 111.248 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -64.83 -33.93 77.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.706 -0.621 . . . . 0.0 110.174 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 55' ' ' ARG . 8.2 tt -65.81 -24.22 66.87 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.602 -0.686 . . . . 0.0 110.768 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.73 -46.74 86.7 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.283 -0.886 . . . . 0.0 110.406 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.3 t -50.61 -23.45 2.58 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.178 -0.951 . . . . 0.0 110.919 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD23 HD11 ' A' ' 50' ' ' ILE . 5.5 tp -73.53 5.66 3.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.427 -0.796 . . . . 0.0 112.456 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 92.0 mttt 76.78 2.03 3.31 Favored 'General case' 0 N--CA 1.517 2.89 0 C-N-CA 123.652 0.781 . . . . 0.0 112.095 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.512 HD11 HD23 ' A' ' 48' ' ' LEU . 94.2 mt -77.28 137.61 64.45 Favored Pre-proline 0 N--CA 1.497 1.914 0 O-C-N 120.952 -1.092 . . . . 0.0 109.651 178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 54' ' ' PHE . 44.4 Cg_endo -57.87 165.48 6.54 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 O-C-N 123.561 1.295 . . . . 0.0 110.323 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 99.2 mt-10 -70.0 -34.89 73.92 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.021 -1.049 . . . . 0.0 110.77 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -60.01 -20.86 60.03 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.539 -0.725 . . . . 0.0 110.438 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 51' ' ' PRO . 11.6 m-85 -96.46 -6.91 36.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.346 -0.846 . . . . 0.0 110.769 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.7 ' HG2' HD22 ' A' ' 45' ' ' LEU . 63.7 mtm180 -69.97 -40.76 75.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.033 -1.042 . . . . 0.0 109.666 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -76.14 -34.2 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.73 -0.606 . . . . 0.0 110.487 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.47 -51.91 51.71 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.555 -0.715 . . . . 0.0 111.243 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -71.78 -45.41 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 121.396 -0.815 . . . . 0.0 111.05 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.2 t90 -59.95 -39.45 85.58 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.538 -0.727 . . . . 0.0 111.465 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -60.0 -40.18 88.32 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.595 -0.69 . . . . 0.0 111.042 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.18 -30.91 73.97 Favored Glycine 0 N--CA 1.493 2.495 0 N-CA-C 109.899 -1.281 . . . . 0.0 109.899 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.1 mt -66.68 -40.02 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.501 -1.0 . . . . 0.0 110.625 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.99 -48.86 79.95 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.245 -0.909 . . . . 0.0 109.975 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.52 -36.32 73.66 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.666 -0.646 . . . . 0.0 110.711 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.92 -40.67 89.65 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.39 -0.819 . . . . 0.0 110.053 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.5 -42.24 98.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.544 -0.723 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -60.06 -37.81 80.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.504 -0.748 . . . . 0.0 111.481 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -39.93 75.19 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 111.739 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -119.63 138.71 53.07 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.387 -0.82 . . . . 0.0 110.818 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -87.99 130.43 34.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.666 -0.646 . . . . 0.0 110.019 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.5 t80 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.493 -0.754 . . . . 0.0 110.184 -179.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 N--CA 1.489 1.243 0 N-CA-C 110.444 -0.637 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -119.95 129.98 54.57 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.48 -0.762 . . . . 0.0 110.448 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 51.81 37.07 19.57 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.49 -0.756 . . . . 0.0 111.382 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p -139.55 26.66 2.32 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.616 -0.677 . . . . 0.0 109.794 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 82.9 p -58.77 159.35 6.89 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 122.001 0.905 . . . . 0.0 111.484 -177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.8 mt -67.79 -25.74 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.6 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.752 HG22 HD11 ' A' ' 23' ' ' LEU . 94.4 t -60.06 -51.48 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.273 -0.892 . . . . 0.0 109.907 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.1 m -60.95 -40.01 91.68 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.348 -0.845 . . . . 0.0 110.874 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -60.1 -40.96 91.47 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.539 -0.726 . . . . 0.0 111.384 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD12 HD13 ' A' ' 23' ' ' LEU . 94.7 mt -62.8 -41.65 99.37 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.519 -0.738 . . . . 0.0 110.579 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.62 94.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.511 -0.743 . . . . 0.0 110.017 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -61.88 -29.48 70.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.68 -0.637 . . . . 0.0 109.58 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 57' ' ' ALA . 29.1 tp -97.38 10.56 39.32 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.709 -0.62 . . . . 0.0 110.213 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.05 25.68 74.31 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -115.47 158.46 22.52 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.496 -1.003 . . . . 0.0 109.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.83 -34.04 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.369 -0.832 . . . . 0.0 110.718 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 p -64.79 -20.02 66.14 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.335 -0.853 . . . . 0.0 111.341 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 67.5 m -91.55 0.39 57.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.198 -0.938 . . . . 0.0 110.994 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD11 HG22 ' A' ' 11' ' ' VAL . 42.2 tp -58.37 -40.08 81.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.336 -0.852 . . . . 0.0 110.997 -178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -52.02 -35.92 48.46 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.298 -0.876 . . . . 0.0 111.823 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -64.24 -40.09 95.31 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.351 -0.843 . . . . 0.0 111.181 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -69.87 -40.05 75.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.339 -0.851 . . . . 0.0 110.383 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 67.2 p -69.63 -41.54 75.5 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.788 -0.57 . . . . 0.0 111.092 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.0 m -67.54 -17.62 64.72 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.51 -0.744 . . . . 0.0 111.389 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -98.9 -6.82 28.22 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.12 -0.987 . . . . 0.0 112.375 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.68 6.82 63.6 Favored Glycine 0 N--CA 1.499 2.841 0 C-N-CA 120.032 -1.08 . . . . 0.0 110.555 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mp -99.98 115.17 29.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.43 -1.041 . . . . 0.0 109.658 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.9 p -132.09 23.3 4.52 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 119.83 -0.748 . . . . 0.0 112.409 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -145.34 153.13 40.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.577 -1.327 . . . . 0.0 110.808 179.105 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.4 tt -70.3 -33.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.606 -0.684 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -60.03 -39.95 87.69 Favored 'General case' 0 N--CA 1.499 1.977 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 33' ' ' THR . 7.3 pt20 -69.92 -19.2 63.4 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.78 -1.2 . . . . 0.0 110.903 -178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.8 pt -99.67 3.39 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.253 -0.904 . . . . 0.0 111.376 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 120.938 -1.101 . . . . 0.0 111.21 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.91 -20.88 17.81 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.394 -0.816 . . . . 0.0 110.777 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 20.6 m-85 -60.6 138.69 58.02 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.1 m -109.11 -168.15 1.3 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.4 -0.812 . . . . 0.0 109.794 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.8 -42.37 97.48 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.408 -0.808 . . . . 0.0 110.801 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -62.87 -49.51 74.58 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.576 -0.703 . . . . 0.0 111.331 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.4 m-20 -61.59 -35.61 78.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.871 -0.518 . . . . 0.0 110.703 -179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.851 HD23 ' HA ' ' A' ' 55' ' ' ARG . 28.4 tp -70.01 -27.52 64.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 110.101 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.61 88.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.363 -0.836 . . . . 0.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.5 p -54.62 -20.59 8.38 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.206 -0.934 . . . . 0.0 110.807 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.841 HD23 HD11 ' A' ' 50' ' ' ILE . 3.1 tp -72.17 2.67 5.51 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.42 -0.8 . . . . 0.0 111.809 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 34.7 mtmt 78.41 7.02 2.42 Favored 'General case' 0 N--CA 1.513 2.682 0 O-C-N 121.583 -0.698 . . . . 0.0 111.482 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.841 HD11 HD23 ' A' ' 48' ' ' LEU . 79.3 mt -78.64 144.02 64.27 Favored Pre-proline 0 N--CA 1.495 1.824 0 O-C-N 121.148 -0.97 . . . . 0.0 109.52 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 50' ' ' ILE . 42.2 Cg_endo -64.22 169.85 10.14 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 O-C-N 123.575 1.302 . . . . 0.0 109.942 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -70.05 -34.31 73.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.071 -1.018 . . . . 0.0 110.589 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -59.93 -20.09 55.47 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.896 -0.503 . . . . 0.0 110.697 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -102.71 -6.67 22.42 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.476 -0.765 . . . . 0.0 111.249 178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.851 ' HA ' HD23 ' A' ' 45' ' ' LEU . 63.1 mtm180 -70.01 -40.0 75.5 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.973 -1.079 . . . . 0.0 109.84 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -84.76 -25.04 28.51 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.666 -0.646 . . . . 0.0 109.935 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.08 -47.43 71.27 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.0 mm -70.35 -43.54 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.524 -0.735 . . . . 0.0 110.522 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.81 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.2 t90 -59.05 -39.12 81.08 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.67 -0.644 . . . . 0.0 111.183 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -60.03 -41.88 93.17 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.599 -0.688 . . . . 0.0 111.338 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.69 -32.4 74.38 Favored Glycine 0 N--CA 1.494 2.546 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 59' ' ' TRP . 91.5 mt -65.64 -41.57 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.582 -0.952 . . . . 0.0 110.814 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.92 -46.93 87.8 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.247 -0.908 . . . . 0.0 110.682 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.0 -39.91 87.39 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.357 -0.84 . . . . 0.0 110.954 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -60.06 -43.21 95.56 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.304 -0.872 . . . . 0.0 110.656 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 ttt-85 -60.05 -39.96 87.77 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.486 -0.759 . . . . 0.0 110.47 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.04 -37.68 80.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.677 -0.639 . . . . 0.0 111.348 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 -29.82 66.93 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.402 -0.811 . . . . 0.0 111.156 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -96.8 115.66 27.81 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.648 -0.821 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -69.98 -40.05 75.59 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.888 0.851 . . . . 0.0 109.479 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.4 t80 . . . . . 0 N--CA 1.494 1.748 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.318 -179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 N--CA 1.488 1.182 0 N-CA-C 110.386 -0.659 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 p -86.83 -5.2 59.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.556 -0.715 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -140.14 159.85 41.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.154 -0.966 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -104.46 20.0 19.28 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.669 -0.645 . . . . 0.0 110.308 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 92.3 p -59.17 -164.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.457 -0.777 . . . . 0.0 111.28 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.7 mm -69.37 -39.92 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.7 -0.625 . . . . 0.0 111.007 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.0 t -59.52 -47.8 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 121.32 -0.862 . . . . 0.0 110.956 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -59.86 -45.94 90.87 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.189 -0.945 . . . . 0.0 110.988 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -59.95 -41.44 91.89 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.767 -0.583 . . . . 0.0 111.41 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD12 HD13 ' A' ' 23' ' ' LEU . 91.4 mt -62.87 -44.05 97.16 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 0.0 111.352 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.94 -43.2 95.13 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.428 -0.795 . . . . 0.0 110.325 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -61.66 -29.88 70.36 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.605 -0.684 . . . . 0.0 110.428 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.4 tp -99.77 14.1 31.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.628 -0.67 . . . . 0.0 111.323 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.0 27.63 72.79 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.47 156.54 20.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.485 -1.009 . . . . 0.0 109.806 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -177.38 -37.97 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.41 -0.806 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -69.19 -22.92 63.87 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.615 -0.678 . . . . 0.0 111.247 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.3 m -89.91 0.69 56.92 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.28 -0.887 . . . . 0.0 110.813 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD13 HD12 ' A' ' 14' ' ' LEU . 35.2 tp -60.04 -39.92 87.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.258 -0.901 . . . . 0.0 110.371 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 28' ' ' THR . 58.5 m-20 -50.65 -36.44 35.51 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.286 -0.884 . . . . 0.0 111.585 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -64.36 -39.99 94.97 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.132 -0.98 . . . . 0.0 110.695 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.9 m-85 -70.05 -39.97 75.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.396 -0.815 . . . . 0.0 111.119 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 6.8 t -69.86 -43.0 72.77 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.414 -0.804 . . . . 0.0 111.827 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.575 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -68.4 -15.3 63.51 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.073 -1.017 . . . . 0.0 111.514 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.575 ' HG2' HG23 ' A' ' 28' ' ' THR . 44.8 mm-40 -95.61 -7.59 37.27 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.135 -0.978 . . . . 0.0 112.149 -178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.83 21.0 32.14 Favored Glycine 0 N--CA 1.5 2.962 0 O-C-N 121.017 -1.052 . . . . 0.0 110.73 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.4 mp -112.17 116.53 30.62 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.418 -1.048 . . . . 0.0 110.206 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.486 ' O ' HG23 ' A' ' 33' ' ' THR . 74.3 p -132.57 25.91 4.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.507 -0.746 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 32' ' ' THR . 14.0 p -152.9 142.54 21.9 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.086 -1.008 . . . . 0.0 110.943 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.2 tt -63.95 -31.54 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.51 -0.744 . . . . 0.0 110.486 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -59.58 -23.38 62.87 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.576 -0.702 . . . . 0.0 110.526 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -69.9 -32.35 70.62 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.458 -0.777 . . . . 0.0 110.093 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 HD11 ' A' ' 62' ' ' ILE . 46.8 pt -106.02 9.11 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.449 -0.782 . . . . 0.0 112.634 -178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -60.78 -40.03 91.04 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.73 -1.231 . . . . 0.0 111.789 179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.17 -20.18 19.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.227 -0.921 . . . . 0.0 110.488 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.94 139.95 57.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.555 -0.716 . . . . 0.0 110.206 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.7 m -102.43 -172.22 2.1 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.599 -0.688 . . . . 0.0 109.853 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.4 mtp -62.74 -41.03 99.0 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.535 -0.728 . . . . 0.0 111.049 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -67.68 -40.02 84.44 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.263 -0.898 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.87 -36.55 83.66 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.813 -0.554 . . . . 0.0 110.372 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 55' ' ' ARG . 58.3 tp -69.05 -27.28 65.5 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.552 -0.717 . . . . 0.0 111.035 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' HB2' ' NH1' ' A' ' 55' ' ' ARG . . . -57.12 -48.08 79.53 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.09 -1.007 . . . . 0.0 110.055 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.7 t -52.3 -23.24 5.46 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.345 -0.847 . . . . 0.0 110.351 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD11 ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -70.38 3.47 2.93 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.445 -0.785 . . . . 0.0 113.032 -178.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 33.5 tttt 85.19 -4.87 0.9 Allowed 'General case' 0 N--CA 1.523 3.212 0 CA-C-N 118.804 0.729 . . . . 0.0 112.055 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 51' ' ' PRO . 98.3 mt -77.33 143.75 69.57 Favored Pre-proline 0 N--CA 1.499 2.024 0 O-C-N 120.935 -1.103 . . . . 0.0 109.912 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 50' ' ' ILE . 45.6 Cg_endo -65.54 169.42 12.78 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 O-C-N 123.818 1.43 . . . . 0.0 108.969 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -70.72 -24.81 62.71 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.034 -1.041 . . . . 0.0 111.253 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -63.12 -26.45 68.83 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.51 -0.744 . . . . 0.0 111.876 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -100.26 -6.3 26.19 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.101 -1.0 . . . . 0.0 111.374 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.83 ' HA ' HD23 ' A' ' 45' ' ' LEU . 51.9 mtm180 -70.6 -39.93 73.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.89 -1.131 . . . . 0.0 109.895 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -79.05 -37.31 39.27 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.841 -0.537 . . . . 0.0 110.92 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.3 -42.46 79.43 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.426 -0.797 . . . . 0.0 111.124 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.1 mt -75.55 -43.37 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.52 -0.737 . . . . 0.0 110.671 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 22.7 t90 -60.02 -36.56 77.51 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.583 -0.698 . . . . 0.0 110.358 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -60.05 -39.93 87.65 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.687 -0.633 . . . . 0.0 110.624 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.16 -30.81 73.97 Favored Glycine 0 N--CA 1.496 2.694 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 95.1 mt -66.03 -43.11 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.564 -0.962 . . . . 0.0 110.387 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.04 -49.47 77.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.412 -0.805 . . . . 0.0 110.688 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -59.98 -39.94 87.42 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.51 -0.744 . . . . 0.0 111.287 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.88 -47.41 85.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.429 -0.794 . . . . 0.0 110.585 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.2 tpt85 -60.0 -45.62 92.14 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 0.0 110.925 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -60.39 -38.75 84.95 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.433 -0.792 . . . . 0.0 111.667 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -34.72 73.62 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.508 -0.745 . . . . 0.0 110.694 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -93.47 111.37 23.02 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 119.741 -0.784 . . . . 0.0 110.034 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -102.12 117.12 34.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.648 -0.658 . . . . 0.0 109.884 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.6 t80 . . . . . 0 N--CA 1.496 1.843 0 O-C-N 121.501 -0.749 . . . . 0.0 110.23 -179.698 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo . . . . . 0 N--CA 1.487 1.144 0 N-CA-C 110.348 -0.674 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.5 p -128.68 152.65 48.16 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.626 -0.671 . . . . 0.0 110.007 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -137.55 138.72 39.89 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.485 -0.76 . . . . 0.0 110.026 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.7 t 50.52 49.93 19.82 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.503 -0.748 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.6 p -56.99 171.08 0.38 Allowed 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 121.927 0.87 . . . . 0.0 111.554 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 34' ' ' ILE . 48.0 mm -68.6 -34.79 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.9 t -54.24 -52.85 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.209 -0.932 . . . . 0.0 111.363 -178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.2 m -60.03 -40.05 88.02 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.171 -0.956 . . . . 0.0 111.777 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -59.9 -45.63 91.93 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.321 -0.862 . . . . 0.0 111.023 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD12 HD13 ' A' ' 23' ' ' LEU . 95.7 mt -60.68 -40.0 90.55 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.431 -0.793 . . . . 0.0 110.972 -179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.48 93.88 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.485 -0.759 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 -59.87 -31.7 70.02 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.743 -0.598 . . . . 0.0 110.909 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.3 tp -93.59 12.56 24.87 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.299 -0.876 . . . . 0.0 110.346 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.96 75.87 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 m -122.94 141.04 52.36 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.629 -0.924 . . . . 0.0 110.63 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.5 m -160.9 25.49 0.14 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.564 -0.71 . . . . 0.0 110.314 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 t -112.58 -19.6 12.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.277 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.7 m -95.64 1.56 53.68 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.182 -0.949 . . . . 0.0 111.466 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 14' ' ' LEU . 60.6 tp -57.43 -39.73 76.85 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.19 -0.944 . . . . 0.0 110.759 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -52.47 -36.81 55.74 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.365 -0.835 . . . . 0.0 111.8 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.08 -43.61 98.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.115 -0.99 . . . . 0.0 110.967 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.33 -40.06 89.64 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.351 -0.843 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.8 p -64.76 -40.2 94.89 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 119.912 -0.715 . . . . 0.0 110.42 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.1 m -68.15 -17.23 64.29 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.571 -0.706 . . . . 0.0 111.24 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -101.64 -12.29 18.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.058 -1.026 . . . . 0.0 112.232 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.06 8.58 57.8 Favored Glycine 0 N--CA 1.501 3.026 0 C-N-CA 120.071 -1.062 . . . . 0.0 110.727 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -97.12 111.42 23.66 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.305 -1.115 . . . . 0.0 109.503 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -130.81 22.39 4.99 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.43 -0.794 . . . . 0.0 111.501 -179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.2 p -146.95 142.82 27.95 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.114 -0.991 . . . . 0.0 110.06 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HD13 HD13 ' A' ' 10' ' ' ILE . 27.6 mm -60.08 -39.99 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.506 -0.746 . . . . 0.0 109.608 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -51.52 -24.13 4.87 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.651 -0.656 . . . . 0.0 111.185 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -69.77 -38.36 76.72 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.466 -0.771 . . . . 0.0 110.432 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.8 pt -102.73 9.05 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.525 -0.735 . . . . 0.0 112.331 -178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -60.09 -37.84 81.16 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.994 -1.066 . . . . 0.0 111.526 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -96.51 -20.39 18.42 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.187 -0.946 . . . . 0.0 110.65 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -61.46 147.08 46.36 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.492 -0.755 . . . . 0.0 110.816 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -102.37 169.72 8.51 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ptm -60.79 -40.8 93.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.333 -0.854 . . . . 0.0 110.615 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -64.85 -40.03 94.51 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.421 -0.799 . . . . 0.0 110.339 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -63.9 -32.53 74.09 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.538 0.685 . . . . 0.0 109.506 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HG ' HD12 ' A' ' 50' ' ' ILE . 34.3 tp -67.0 -20.88 65.95 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.838 -0.539 . . . . 0.0 111.171 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.6 -46.4 77.32 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.157 -0.965 . . . . 0.0 110.721 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.2 p -51.9 -21.55 3.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.102 -0.999 . . . . 0.0 110.916 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.789 HD23 HD11 ' A' ' 50' ' ' ILE . 6.2 tp -75.96 10.53 1.83 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.334 -0.854 . . . . 0.0 112.521 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 15.4 mmtt 77.12 1.85 3.17 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 121.541 -0.724 . . . . 0.0 112.079 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.789 HD11 HD23 ' A' ' 48' ' ' LEU . 81.3 mt -77.69 139.51 62.78 Favored Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.881 -1.137 . . . . 0.0 109.87 178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.49 171.76 17.03 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 O-C-N 123.68 1.358 . . . . 0.0 109.008 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -65.62 -23.03 66.72 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.176 -0.953 . . . . 0.0 111.158 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.99 -36.05 76.33 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.425 -0.797 . . . . 0.0 110.692 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.96 -5.98 25.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.351 -0.843 . . . . 0.0 111.219 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' HA ' HD23 ' A' ' 45' ' ' LEU . 17.6 mtm180 -70.82 -52.41 20.6 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.945 -1.097 . . . . 0.0 110.66 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -75.72 -32.66 60.14 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.569 -0.707 . . . . 0.0 110.46 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.94 87.98 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.382 -0.824 . . . . 0.0 110.47 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.0 mt -71.75 -40.13 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.407 -0.808 . . . . 0.0 110.354 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.715 ' HA ' HD12 ' A' ' 62' ' ' ILE . 3.8 t90 -60.0 -36.86 78.1 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.632 -0.667 . . . . 0.0 110.722 -179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -60.05 -40.02 87.96 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.699 -0.625 . . . . 0.0 110.828 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.67 -30.11 74.45 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 59' ' ' TRP . 94.9 mt -66.73 -40.02 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.429 -1.041 . . . . 0.0 110.79 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.03 -50.24 74.51 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.085 -1.01 . . . . 0.0 109.984 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -58.25 -34.69 70.74 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.474 -0.766 . . . . 0.0 110.312 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.467 ' HA ' HD23 ' A' ' 68' ' ' LEU . 86.4 t60 -60.07 -39.93 87.75 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.827 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -63.56 -40.1 96.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.496 -0.752 . . . . 0.0 111.156 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -60.4 -39.94 89.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.633 -0.667 . . . . 0.0 112.376 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.8 pp -72.21 -17.7 61.9 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.968 -1.082 . . . . 0.0 111.076 -179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -91.65 129.92 37.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.285 -0.884 . . . . 0.0 110.308 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.8 164.81 31.61 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.609 -0.682 . . . . 0.0 110.096 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.495 1.792 0 O-C-N 121.559 -0.713 . . . . 0.0 110.38 -179.826 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo . . . . . 0 N--CA 1.489 1.233 0 N-CA-C 110.553 -0.595 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.46 -39.98 89.54 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.461 -0.775 . . . . 0.0 110.392 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -109.97 128.9 55.66 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.531 -0.731 . . . . 0.0 110.008 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p -101.72 19.19 18.62 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.67 -0.644 . . . . 0.0 110.972 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 95.7 p -60.42 166.51 3.03 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.292 -0.88 . . . . 0.0 111.413 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.8 mt -68.69 -35.02 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.806 -0.559 . . . . 0.0 110.69 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.841 HG22 HD11 ' A' ' 23' ' ' LEU . 62.3 t -52.26 -55.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.292 -0.88 . . . . 0.0 111.315 -178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.5 m -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.332 -0.855 . . . . 0.0 111.461 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -60.02 -40.48 89.44 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.682 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.46 -40.02 95.27 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.396 -0.815 . . . . 0.0 110.279 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.06 -40.91 95.46 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 109.616 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -60.09 -28.74 68.08 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.136 0.493 . . . . 0.0 110.167 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 tp -93.75 12.88 24.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.547 -0.721 . . . . 0.0 109.692 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.58 27.95 70.56 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.2 m -123.92 136.8 54.57 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.581 -0.952 . . . . 0.0 110.941 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -153.02 21.75 0.57 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.491 -0.755 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 m -99.19 -20.2 16.74 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.36 -0.838 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 74.1 m -94.76 3.64 54.78 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.349 -0.845 . . . . 0.0 111.001 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.841 HD11 HG22 ' A' ' 11' ' ' VAL . 64.6 tp -59.93 -41.55 92.02 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.252 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' HA ' ' CG2' ' A' ' 27' ' ' THR . 56.4 t0 -54.84 -37.78 66.61 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.263 -0.898 . . . . 0.0 111.452 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 54.9 m-85 -62.93 -44.1 96.99 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.078 -1.014 . . . . 0.0 111.71 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -69.77 -42.25 74.09 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.048 -1.032 . . . . 0.0 111.24 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.415 ' CG2' ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -66.12 -39.93 90.3 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.784 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -68.75 -18.4 64.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.505 -0.747 . . . . 0.0 110.936 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -100.32 -12.51 19.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.163 -0.961 . . . . 0.0 112.015 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.26 6.56 58.77 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 120.131 -1.033 . . . . 0.0 111.17 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mp -97.7 114.24 26.18 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.249 -1.148 . . . . 0.0 109.654 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 p -131.62 29.92 4.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.619 -0.676 . . . . 0.0 111.545 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 0.7 OUTLIER -155.74 157.22 36.19 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.974 -1.079 . . . . 0.0 111.255 179.399 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.5 mt -69.98 -39.19 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 48.1 m-85 -54.54 -23.75 17.91 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.699 -0.625 . . . . 0.0 110.653 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -70.01 -34.96 73.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.507 -0.745 . . . . 0.0 109.706 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.484 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 45.8 pt -116.58 24.82 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.553 -0.717 . . . . 0.0 111.778 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 15.6 mm-40 -60.0 -39.67 86.56 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.158 -0.964 . . . . 0.0 111.718 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -103.9 -2.63 25.91 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.282 -0.886 . . . . 0.0 111.14 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 8.8 m-85 -62.71 142.15 58.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.08 -1.013 . . . . 0.0 109.573 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.3 m -100.12 177.88 4.95 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.529 -0.732 . . . . 0.0 109.884 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 96.0 mtp -60.02 -40.02 87.85 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.582 -0.699 . . . . 0.0 110.511 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -66.68 -40.01 88.37 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.575 -0.703 . . . . 0.0 109.765 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -61.09 -38.39 86.08 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.25 0.548 . . . . 0.0 110.283 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 55' ' ' ARG . 45.1 tp -63.95 -26.57 68.65 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.643 -0.661 . . . . 0.0 110.354 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.63 -48.49 74.86 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.316 -0.865 . . . . 0.0 110.217 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.2 p -49.97 -24.76 2.76 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.392 -0.817 . . . . 0.0 110.605 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD22 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.97 8.11 2.23 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.437 -0.789 . . . . 0.0 112.248 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . 20.8 mmmt 78.25 1.73 2.72 Favored 'General case' 0 N--CA 1.515 2.777 0 C-N-CA 123.411 0.684 . . . . 0.0 111.689 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.733 HD11 HD22 ' A' ' 48' ' ' LEU . 82.6 mt -75.64 144.61 77.39 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 120.964 -1.085 . . . . 0.0 109.723 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -84.17 171.63 10.11 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 O-C-N 123.837 1.44 . . . . 0.0 109.049 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.07 -27.25 68.98 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.081 -1.012 . . . . 0.0 111.304 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -60.01 -35.23 74.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.422 -0.799 . . . . 0.0 110.802 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -98.23 -7.89 28.37 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.353 -0.842 . . . . 0.0 111.37 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.603 ' HA ' HD23 ' A' ' 45' ' ' LEU . 8.8 mtm180 -70.09 -46.31 65.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.968 -1.082 . . . . 0.0 110.605 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 25.0 p80 -76.25 -31.84 58.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.444 -0.785 . . . . 0.0 110.915 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -67.4 -46.83 72.1 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.446 -0.784 . . . . 0.0 111.307 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -72.73 -42.73 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.448 -0.782 . . . . 0.0 111.102 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.806 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.0 t90 -59.88 -40.33 88.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.561 -0.712 . . . . 0.0 111.436 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.01 -39.93 87.48 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.377 -0.827 . . . . 0.0 111.176 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.33 -30.34 77.25 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 109.772 -1.331 . . . . 0.0 109.772 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 59' ' ' TRP . 86.8 mt -65.79 -35.98 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.701 -0.882 . . . . 0.0 110.865 -179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 69.8 mt -59.93 -50.03 75.35 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.307 -0.871 . . . . 0.0 110.641 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -59.79 -39.52 85.23 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.36 -0.837 . . . . 0.0 110.483 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.614 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.0 t60 -58.89 -33.91 71.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -69.96 -40.01 75.67 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.35 -0.844 . . . . 0.0 111.786 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -61.4 -40.52 94.7 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.945 -0.702 . . . . 0.0 112.176 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.7 pp -77.83 -21.66 51.17 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.239 -0.913 . . . . 0.0 110.644 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.04 -41.69 92.81 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.5 -0.75 . . . . 0.0 110.925 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -120.49 128.77 53.44 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.363 -0.836 . . . . 0.0 110.232 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.5 t80 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.461 -0.774 . . . . 0.0 110.216 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo . . . . . 0 N--CA 1.482 0.837 0 N-CA-C 110.336 -0.679 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.4 m -68.86 -39.98 79.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.715 -0.616 . . . . 0.0 110.939 -179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -118.59 132.63 56.19 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.287 -0.883 . . . . 0.0 110.866 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.09 30.85 4.74 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.718 -0.614 . . . . 0.0 110.12 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.22 -168.64 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.478 -0.764 . . . . 0.0 110.711 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.3 mt -69.9 -40.0 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.691 . . . . 0.0 111.341 -178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.76 -55.51 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.994 -1.066 . . . . 0.0 111.294 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.6 m -59.99 -41.95 93.15 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.287 -0.883 . . . . 0.0 112.168 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -59.91 -46.14 90.32 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.282 -0.886 . . . . 0.0 111.568 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.11 -39.96 94.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.876 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.48 -43.55 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.257 -0.902 . . . . 0.0 109.7 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -63.22 -26.22 68.69 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.755 -0.59 . . . . 0.0 110.092 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -99.6 10.48 41.28 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.514 -0.741 . . . . 0.0 110.074 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.05 29.77 72.26 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.437 ' SG ' HD23 ' A' ' 17' ' ' LEU . 70.8 m -117.54 151.58 36.86 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.475 -1.015 . . . . 0.0 110.254 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -173.96 -35.82 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.436 -0.79 . . . . 0.0 110.119 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -59.02 -26.67 64.76 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.523 -0.735 . . . . 0.0 111.43 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 m -89.8 0.48 56.99 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.255 -0.903 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 33.6 tp -59.99 -40.03 87.78 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.314 -0.866 . . . . 0.0 110.446 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -53.83 -36.67 62.8 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.215 -0.928 . . . . 0.0 111.866 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -62.74 -40.06 96.04 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.093 -1.005 . . . . 0.0 110.256 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 95.6 m-85 -67.32 -40.12 85.91 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.467 -0.771 . . . . 0.0 110.283 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.9 p -65.13 -39.96 93.77 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 120.189 -0.605 . . . . 0.0 110.414 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 88.8 m -65.82 -19.42 65.88 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 111.376 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -99.0 -6.07 29.28 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 112.139 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.43 10.16 66.01 Favored Glycine 0 N--CA 1.496 2.637 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 48' ' ' LEU . 2.6 mt -96.59 112.62 24.29 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.359 -1.083 . . . . 0.0 109.082 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -134.53 29.99 3.53 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.698 -0.627 . . . . 0.0 111.26 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 p -150.1 142.96 24.77 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.281 -0.887 . . . . 0.0 110.356 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.1 tt -66.31 -24.91 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.683 -0.636 . . . . 0.0 110.472 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -65.86 -26.13 67.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.596 -0.69 . . . . 0.0 110.689 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB3' HD23 ' A' ' 31' ' ' LEU . 6.9 mm100 -67.33 -39.92 85.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.581 -0.699 . . . . 0.0 109.654 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 42.9 pt -102.44 9.89 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.712 -0.618 . . . . 0.0 112.11 -178.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.97 -37.95 81.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.956 -1.09 . . . . 0.0 111.012 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -98.47 -12.03 21.73 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.373 -0.829 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 7.2 m-85 -59.2 143.24 49.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.322 -0.861 . . . . 0.0 111.489 -178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -102.84 178.87 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.797 -0.564 . . . . 0.0 109.571 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.0 mtp -62.63 -40.0 95.61 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.453 -0.779 . . . . 0.0 110.945 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -68.38 -40.0 81.54 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.384 -0.823 . . . . 0.0 110.514 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -64.96 -36.76 85.43 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.67 -0.643 . . . . 0.0 111.108 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 55' ' ' ARG . 48.7 tp -69.98 -25.58 63.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.481 -0.762 . . . . 0.0 111.267 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -43.97 82.59 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.253 -0.905 . . . . 0.0 110.459 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 79.4 p -54.37 -21.11 8.67 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.159 -0.963 . . . . 0.0 110.84 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 31' ' ' LEU . 1.2 tp -75.32 4.81 6.5 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.326 -0.859 . . . . 0.0 112.297 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 52.7 mttm 78.45 4.09 2.64 Favored 'General case' 0 N--CA 1.518 2.94 0 C-N-CA 123.687 0.795 . . . . 0.0 112.307 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 48' ' ' LEU . 57.4 mt -76.24 134.89 70.11 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 120.917 -1.114 . . . . 0.0 109.354 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -61.19 168.39 7.74 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 O-C-N 123.637 1.335 . . . . 0.0 109.301 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 84.4 tt0 -69.53 -30.23 68.0 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.02 -1.05 . . . . 0.0 110.491 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.12 -22.28 62.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.714 -0.616 . . . . 0.0 110.072 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -101.4 -14.38 17.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.444 -0.785 . . . . 0.0 111.303 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' HA ' HD23 ' A' ' 45' ' ' LEU . 19.2 mtm180 -69.69 -40.11 76.55 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.064 -1.022 . . . . 0.0 110.562 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -79.05 -37.9 37.82 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.461 -0.774 . . . . 0.0 110.69 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -63.66 -43.28 97.19 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.467 -0.771 . . . . 0.0 111.373 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -76.62 -40.51 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.082 0 O-C-N 121.337 -0.852 . . . . 0.0 110.767 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.739 ' HA ' HD12 ' A' ' 62' ' ' ILE . 15.2 t90 -59.96 -39.39 85.44 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.494 -0.754 . . . . 0.0 110.911 -178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.0 -41.32 91.85 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.547 -0.721 . . . . 0.0 111.669 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.35 74.85 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.739 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.5 mt -65.8 -41.27 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.953 . . . . 0.0 110.957 -179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.9 mt -60.0 -49.17 78.73 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.316 -0.865 . . . . 0.0 110.651 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.91 -40.34 88.51 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.553 -0.717 . . . . 0.0 111.161 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.716 ' HA ' HD23 ' A' ' 68' ' ' LEU . 84.4 t60 -60.16 -40.64 90.61 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.406 -0.809 . . . . 0.0 110.408 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -64.46 -39.48 93.89 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.697 -0.627 . . . . 0.0 110.694 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.07 -38.14 81.98 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.538 -0.726 . . . . 0.0 111.798 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.2 pp -68.76 -23.98 64.38 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.026 -1.046 . . . . 0.0 110.551 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -89.8 106.22 18.32 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.473 -0.767 . . . . 0.0 110.484 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -102.03 129.86 48.44 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.538 -0.727 . . . . 0.0 109.727 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 14.8 t80 . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.57 -0.706 . . . . 0.0 110.327 -179.707 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo . . . . . 0 N--CA 1.487 1.146 0 N-CA-C 110.507 -0.613 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.1 p -139.34 151.61 46.52 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.425 -0.797 . . . . 0.0 110.126 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -148.96 160.53 43.2 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.636 -0.665 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' O ' HD12 ' A' ' 34' ' ' ILE . 28.5 p -106.34 23.44 14.13 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.704 -0.623 . . . . 0.0 110.475 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.5 p -59.64 164.94 3.25 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.652 0.739 . . . . 0.0 111.205 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -69.86 -25.86 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 122.022 -0.424 . . . . 0.0 110.856 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 HD11 ' A' ' 23' ' ' LEU . 76.1 t -59.96 -52.73 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.312 -0.868 . . . . 0.0 109.876 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.1 m -60.04 -40.12 88.26 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.405 -0.809 . . . . 0.0 111.072 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -59.95 -43.54 94.94 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.442 -0.786 . . . . 0.0 111.331 -179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.1 mt -63.76 -40.21 96.15 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.381 -0.824 . . . . 0.0 111.077 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.18 96.51 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.379 -0.826 . . . . 0.0 109.97 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -60.0 -29.59 68.57 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.876 -0.515 . . . . 0.0 110.401 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.08 17.22 12.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.565 -0.71 . . . . 0.0 110.389 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.57 26.28 66.4 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.8 m -122.21 129.88 52.67 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.511 -0.994 . . . . 0.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -154.14 24.02 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.418 -0.801 . . . . 0.0 109.982 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 p -100.93 -28.36 12.8 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.446 -0.784 . . . . 0.0 110.961 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.7 m -91.91 5.89 48.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.314 -0.866 . . . . 0.0 110.994 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD11 HG22 ' A' ' 11' ' ' VAL . 56.2 tp -59.56 -43.36 93.58 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.702 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -51.65 -34.48 38.22 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.33 -0.856 . . . . 0.0 111.447 -179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -63.88 -40.02 95.56 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.002 -1.061 . . . . 0.0 109.884 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 78.4 m-85 -67.64 -39.97 84.61 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.383 -0.823 . . . . 0.0 110.606 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.2 p -65.31 -41.49 93.98 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.588 -0.695 . . . . 0.0 110.112 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -68.8 -14.54 63.09 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.63 -0.669 . . . . 0.0 111.246 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -101.06 -14.89 17.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.078 -1.014 . . . . 0.0 112.028 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.56 19.68 47.69 Favored Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD23 HE21 ' A' ' 36' ' ' GLN . 2.1 mt -103.21 114.99 29.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.343 -1.092 . . . . 0.0 109.267 178.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.9 p -133.08 25.6 4.24 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.162 -178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -148.75 139.44 22.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.008 -1.058 . . . . 0.0 110.784 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 8' ' ' CYS . 97.2 mt -60.32 -39.88 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.531 -0.731 . . . . 0.0 109.855 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.422 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 33.7 m-85 -50.92 -23.25 2.72 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.395 -0.815 . . . . 0.0 111.063 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.528 HE21 HD23 ' A' ' 31' ' ' LEU . 6.3 mm100 -70.03 -37.91 75.73 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.515 -0.74 . . . . 0.0 109.977 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.9 pt -106.07 17.07 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 O-C-N 121.507 -0.746 . . . . 0.0 112.395 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.95 -39.25 84.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.986 -1.071 . . . . 0.0 112.418 -179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -101.24 -3.65 28.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.913 -1.117 . . . . 0.0 111.103 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -61.41 141.75 57.43 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.28 -0.888 . . . . 0.0 110.777 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.2 m -102.26 177.8 4.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.608 -0.683 . . . . 0.0 109.881 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.5 mtp -61.21 -43.64 98.56 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.557 -0.714 . . . . 0.0 111.249 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.0 -39.9 90.7 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.39 -0.819 . . . . 0.0 110.06 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.06 -37.98 81.48 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.832 -0.543 . . . . 0.0 110.356 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.7 tp -64.67 -28.93 69.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.603 -0.685 . . . . 0.0 111.258 -179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.86 -48.29 70.17 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.177 -0.952 . . . . 0.0 110.382 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 t -50.01 -25.91 3.81 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.487 -0.758 . . . . 0.0 110.465 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 50' ' ' ILE . 6.8 tp -71.72 2.95 4.56 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.492 -0.755 . . . . 0.0 112.044 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 7.9 mtpt 78.45 0.19 2.57 Favored 'General case' 0 N--CA 1.512 2.633 0 C-N-CA 123.312 0.645 . . . . 0.0 111.334 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 48' ' ' LEU . 96.7 mt -74.73 133.56 76.41 Favored Pre-proline 0 N--CA 1.495 1.784 0 O-C-N 121.128 -0.983 . . . . 0.0 109.602 178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.55 172.01 8.61 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 O-C-N 123.683 1.359 . . . . 0.0 109.825 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.94 -22.74 63.15 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.077 -1.014 . . . . 0.0 111.299 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -60.08 -30.51 69.28 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.529 -0.732 . . . . 0.0 110.474 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -98.81 -2.79 37.03 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.51 -0.744 . . . . 0.0 111.748 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.522 ' HA ' HD23 ' A' ' 45' ' ' LEU . 45.7 mtm180 -70.23 -49.49 49.44 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.825 -1.172 . . . . 0.0 110.342 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -75.8 -34.33 60.17 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.626 -0.671 . . . . 0.0 110.386 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.65 -49.85 73.51 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.467 -0.771 . . . . 0.0 111.198 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.78 -42.69 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.365 -0.834 . . . . 0.0 111.383 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -59.92 -35.62 75.29 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.452 -0.78 . . . . 0.0 111.192 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.06 -40.46 89.54 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.402 -0.811 . . . . 0.0 110.853 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.06 -31.59 66.56 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.0 mm -63.82 -39.99 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.496 -1.002 . . . . 0.0 110.83 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.01 -50.0 75.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.406 -0.809 . . . . 0.0 111.063 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -60.3 -39.95 88.79 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.405 -0.81 . . . . 0.0 111.487 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -60.52 -43.56 96.97 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 110.032 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -60.0 -39.12 84.67 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.694 -0.629 . . . . 0.0 110.102 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.02 -38.86 83.94 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.692 -0.63 . . . . 0.0 111.135 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.1 -33.25 71.62 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.41 -0.807 . . . . 0.0 109.918 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -98.98 170.78 8.48 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.67 -0.644 . . . . 0.0 110.044 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -149.6 161.24 42.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.357 -0.839 . . . . 0.0 110.506 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.647 -0.658 . . . . 0.0 110.152 179.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.489 1.258 0 N-CA-C 110.735 -0.525 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.5 t -105.34 5.54 31.94 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.647 -0.658 . . . . 0.0 110.591 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -118.83 131.15 56.08 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.252 -0.905 . . . . 0.0 109.78 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.6 p -124.59 38.89 4.1 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.548 -0.72 . . . . 0.0 110.361 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -58.98 163.18 3.66 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 122.087 0.946 . . . . 0.0 111.962 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.8 mt -70.03 -34.63 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.311 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.4 t -49.79 -50.6 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 O-C-N 120.937 -1.102 . . . . 0.0 110.474 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -59.95 -39.81 86.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.614 -0.678 . . . . 0.0 110.905 179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.94 -49.98 75.54 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.4 -0.812 . . . . 0.0 111.929 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.7 mt -60.36 -39.14 86.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.366 -0.834 . . . . 0.0 110.731 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.02 91.2 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.354 -0.841 . . . . 0.0 109.385 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -60.99 -29.95 69.99 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.784 -0.572 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.1 tp -100.03 15.17 28.13 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.323 -0.861 . . . . 0.0 110.617 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.32 29.05 73.82 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.921 -1.271 . . . . 0.0 109.921 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.6 m -122.64 150.23 42.95 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.482 -1.011 . . . . 0.0 110.124 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -173.85 -36.08 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.437 -0.789 . . . . 0.0 110.163 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 m -51.16 -24.66 4.36 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.489 -0.757 . . . . 0.0 111.81 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.8 m -91.91 2.53 56.47 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.242 -0.911 . . . . 0.0 111.281 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.1 tp -58.29 -39.95 80.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.201 -0.937 . . . . 0.0 111.186 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -52.75 -33.56 48.91 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.23 -0.919 . . . . 0.0 111.62 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.417 ' HB3' HD23 ' A' ' 48' ' ' LEU . 36.8 m-85 -63.06 -42.85 99.78 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 110.77 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 86.7 m-85 -69.96 -40.12 75.59 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.241 -0.912 . . . . 0.0 110.956 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 39.6 p -60.93 -50.04 75.01 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.753 -0.592 . . . . 0.0 111.086 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 29' ' ' GLN . 8.9 t -66.76 -9.81 40.72 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.42 -0.8 . . . . 0.0 111.872 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' HG2' HG23 ' A' ' 28' ' ' THR . 55.4 mm-40 -99.37 -14.63 19.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.021 -1.049 . . . . 0.0 111.821 -179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.65 14.47 43.62 Favored Glycine 0 N--CA 1.499 2.867 0 C-N-CA 120.106 -1.045 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.38 113.61 27.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.319 -1.106 . . . . 0.0 109.6 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.5 p -129.35 22.5 5.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.451 -0.781 . . . . 0.0 112.274 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.42 ' CB ' ' HG3' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -147.36 143.3 27.9 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.88 -1.138 . . . . 0.0 110.086 179.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 35' ' ' TYR . 19.8 tt -65.12 -38.1 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.727 -0.608 . . . . 0.0 111.023 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' HA ' ' HG3' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -60.0 -27.27 66.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.668 -0.645 . . . . 0.0 110.742 -178.587 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HG3' ' CB ' ' A' ' 33' ' ' THR . 4.5 mt-30 -64.74 -37.21 86.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.632 -0.667 . . . . 0.0 110.911 -178.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.9 pt -92.46 26.45 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.324 -0.86 . . . . 0.0 110.778 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.468 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 76.9 mt-10 -60.02 -39.95 87.62 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.344 -0.847 . . . . 0.0 112.573 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -108.13 -3.96 18.13 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.962 -1.086 . . . . 0.0 113.035 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.493 ' HE2' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -56.66 142.94 38.11 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.961 -1.087 . . . . 0.0 110.956 -178.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -103.41 -179.26 3.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.212 -0.93 . . . . 0.0 110.571 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.66 -40.0 93.35 Favored 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.361 0.6 . . . . 0.0 110.374 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -70.02 -40.07 75.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.6 -0.688 . . . . 0.0 111.027 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -61.32 -38.91 88.56 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.882 -0.511 . . . . 0.0 110.741 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.605 HD23 ' HA ' ' A' ' 55' ' ' ARG . 55.9 tp -67.5 -30.25 69.88 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.569 -0.707 . . . . 0.0 110.287 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.214 -0.929 . . . . 0.0 109.938 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.9 t -51.84 -24.0 5.53 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.261 -0.899 . . . . 0.0 110.08 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.17 4.38 3.65 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.415 -0.803 . . . . 0.0 111.842 179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 89.6 mttt 79.34 3.05 2.29 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 123.697 0.799 . . . . 0.0 111.687 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.594 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 90.4 mt -78.24 142.54 63.56 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 120.948 -1.095 . . . . 0.0 109.166 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.17 168.25 25.12 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 O-C-N 123.754 1.397 . . . . 0.0 108.937 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -67.34 -27.82 67.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.127 -0.983 . . . . 0.0 110.376 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -60.05 -30.15 69.0 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -99.48 -12.11 20.48 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.575 -0.703 . . . . 0.0 111.016 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.605 ' HA ' HD23 ' A' ' 45' ' ' LEU . 23.1 mtm180 -69.74 -40.07 76.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.992 -1.068 . . . . 0.0 110.775 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 23.2 p80 -82.9 -28.34 30.03 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.31 -0.869 . . . . 0.0 110.826 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -70.23 -44.99 67.44 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.394 -0.816 . . . . 0.0 110.978 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 90.1 mt -72.82 -40.48 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.717 . . . . 0.0 110.22 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.626 ' HA ' HD12 ' A' ' 62' ' ' ILE . 10.5 t90 -59.89 -36.83 77.77 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.661 -0.649 . . . . 0.0 110.883 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.1 -39.89 87.73 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.636 -0.665 . . . . 0.0 111.308 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.89 -29.34 72.54 Favored Glycine 0 N--CA 1.497 2.709 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.0 mt -67.47 -40.05 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.416 -1.049 . . . . 0.0 110.916 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 98.8 mt -59.99 -50.83 72.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.353 -0.842 . . . . 0.0 110.968 -178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -60.02 -38.08 81.65 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.439 -0.788 . . . . 0.0 110.976 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -59.97 -40.03 87.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.368 -0.832 . . . . 0.0 109.662 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -60.61 -40.56 92.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.693 -0.63 . . . . 0.0 109.95 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -62.36 -37.68 86.63 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.727 -0.608 . . . . 0.0 110.772 -179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -31.33 68.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.586 -0.696 . . . . 0.0 110.522 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -91.2 123.35 34.58 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.962 -0.695 . . . . 0.0 109.978 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -70.06 144.19 52.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.734 -0.604 . . . . 0.0 110.689 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.7 t80 . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.623 -0.673 . . . . 0.0 110.046 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo . . . . . 0 N--CA 1.486 1.049 0 N-CA-C 110.21 -0.727 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -131.14 164.27 25.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.486 -0.759 . . . . 0.0 110.373 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.8 p-10 -137.98 155.21 49.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.743 -0.598 . . . . 0.0 110.082 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 m -108.33 23.62 14.24 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.667 -0.646 . . . . 0.0 110.435 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 p -57.2 171.31 0.4 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.331 -0.856 . . . . 0.0 111.262 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.1 mt -70.0 -39.29 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.722 -0.611 . . . . 0.0 111.926 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG22 HD11 ' A' ' 23' ' ' LEU . 57.9 t -51.04 -52.65 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 O-C-N 120.94 -1.1 . . . . 0.0 111.277 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m -60.0 -40.03 87.83 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.36 -0.838 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -59.92 -47.32 86.27 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.545 -0.722 . . . . 0.0 111.32 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD12 HD13 ' A' ' 23' ' ' LEU . 85.4 mt -60.07 -39.9 87.65 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.419 -0.801 . . . . 0.0 109.849 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.93 92.99 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.669 -0.644 . . . . 0.0 109.774 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.04 -27.75 67.18 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.747 -0.596 . . . . 0.0 110.122 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.45 10.58 40.53 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.587 -0.696 . . . . 0.0 109.843 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.68 30.32 76.13 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.1 m -121.27 137.81 54.52 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.485 -1.009 . . . . 0.0 111.054 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.4 p -158.6 22.87 0.23 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.252 -0.905 . . . . 0.0 110.479 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.1 p -104.43 -20.26 13.78 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.222 -0.924 . . . . 0.0 111.142 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 63.3 m -100.06 3.05 43.84 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.297 -0.877 . . . . 0.0 111.283 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD11 HG22 ' A' ' 11' ' ' VAL . 47.6 tp -57.8 -40.03 78.94 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.199 -0.938 . . . . 0.0 110.543 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 27' ' ' THR . 66.6 m-20 -51.73 -33.88 36.63 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.497 -0.752 . . . . 0.0 112.136 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -64.37 -40.65 96.26 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.28 -0.887 . . . . 0.0 111.113 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -70.0 -41.11 74.8 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.413 -0.805 . . . . 0.0 111.398 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 24' ' ' ASP . 8.8 t -70.27 -40.03 74.6 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.443 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.0 m -67.31 -18.71 65.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.502 -0.749 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -101.64 -8.41 21.84 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.264 -0.898 . . . . 0.0 112.041 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.48 -0.91 63.74 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.493 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD13 HD11 ' A' ' 48' ' ' LEU . 3.8 mp -91.02 111.39 22.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.209 -1.171 . . . . 0.0 108.787 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.413 ' C ' HG23 ' A' ' 33' ' ' THR . 73.4 p -130.21 23.52 5.22 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.619 -0.676 . . . . 0.0 111.626 -178.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 32' ' ' THR . 71.0 p -147.68 151.28 35.88 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.05 -1.032 . . . . 0.0 110.509 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.0 mm -61.98 -39.97 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 CA-C-O 121.375 0.607 . . . . 0.0 109.549 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -52.33 -26.22 11.68 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.765 -0.584 . . . . 0.0 111.507 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mm100 -70.04 -33.3 71.79 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.438 -0.789 . . . . 0.0 109.956 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.6 pt -106.23 10.04 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.552 -0.718 . . . . 0.0 111.997 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.04 -37.45 79.86 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.0 -1.063 . . . . 0.0 110.866 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -100.36 -16.56 17.6 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.4 -0.813 . . . . 0.0 111.327 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 36' ' ' GLN . 13.3 m-85 -61.16 143.14 56.07 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.32 -0.863 . . . . 0.0 110.548 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -101.81 -177.85 3.54 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.527 -0.733 . . . . 0.0 110.387 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 94.2 mtp -63.49 -40.11 96.21 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.854 -0.529 . . . . 0.0 111.165 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.87 -39.99 75.99 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.421 -0.799 . . . . 0.0 110.342 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -62.94 -35.64 80.79 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.332 0.587 . . . . 0.0 109.701 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.745 HD23 ' HG2' ' A' ' 55' ' ' ARG . 24.7 tp -64.91 -29.94 70.91 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.744 -0.597 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . . . -56.06 -43.2 77.7 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.304 -0.873 . . . . 0.0 108.925 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 46.7 t -50.04 -27.88 6.21 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.777 -0.577 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 31' ' ' LEU . 1.1 tp -78.32 10.18 3.26 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.337 -0.852 . . . . 0.0 112.265 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 3.1 mtpp 79.24 5.34 2.2 Favored 'General case' 0 N--CA 1.515 2.815 0 C-N-CA 123.339 0.655 . . . . 0.0 111.964 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.446 HD12 ' HG ' ' A' ' 45' ' ' LEU . 87.1 mt -78.29 146.34 70.4 Favored Pre-proline 0 N--CA 1.498 1.957 0 O-C-N 120.98 -1.075 . . . . 0.0 109.503 177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -85.83 163.8 10.46 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 O-C-N 123.59 1.311 . . . . 0.0 109.242 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -60.76 -25.77 66.75 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.138 -0.976 . . . . 0.0 110.737 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -60.07 -36.66 77.84 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 122.119 0.961 . . . . 0.0 110.289 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -97.35 -16.9 20.05 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.265 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.745 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.0 mtm180 -69.97 -40.01 75.65 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.031 -1.043 . . . . 0.0 110.911 179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -76.45 -39.94 51.91 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.49 -0.756 . . . . 0.0 111.676 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.61 75.71 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.413 -0.804 . . . . 0.0 111.52 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.4 mt -75.57 -44.18 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.427 -0.795 . . . . 0.0 110.686 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.689 ' HA ' HD12 ' A' ' 62' ' ' ILE . 31.1 t90 -60.04 -40.05 88.06 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.488 -0.757 . . . . 0.0 110.259 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -59.98 -39.97 87.54 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.505 -0.747 . . . . 0.0 110.241 -179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -29.02 67.65 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.0 mt -63.22 -39.66 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.544 -0.974 . . . . 0.0 110.776 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.9 mt -60.03 -47.73 84.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.157 -0.965 . . . . 0.0 110.12 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -58.94 -39.3 81.22 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.371 -0.831 . . . . 0.0 110.482 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.42 ' HA ' HD23 ' A' ' 68' ' ' LEU . 77.2 t60 -60.02 -40.03 87.9 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.764 -0.585 . . . . 0.0 110.426 -179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.42 -40.03 92.86 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.44 -0.788 . . . . 0.0 111.534 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 120.156 -0.618 . . . . 0.0 112.191 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp -73.28 -28.49 62.15 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.146 -0.971 . . . . 0.0 111.071 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -60.18 -43.87 95.51 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.493 -0.755 . . . . 0.0 110.788 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -86.85 120.53 28.23 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.545 -0.722 . . . . 0.0 110.06 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.564 -0.71 . . . . 0.0 110.322 -179.607 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo . . . . . 0 N--CA 1.488 1.183 0 N-CA-C 110.55 -0.596 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -140.47 152.35 45.57 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.516 -0.74 . . . . 0.0 110.419 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -105.49 136.37 45.17 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.556 -0.715 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.81 26.93 9.93 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.664 -0.648 . . . . 0.0 110.742 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -56.38 179.71 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.445 -0.784 . . . . 0.0 111.222 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.3 mt -69.09 -39.49 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.723 -0.611 . . . . 0.0 110.733 -178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 23' ' ' LEU . 93.4 t -51.37 -55.41 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 O-C-N 121.343 -0.848 . . . . 0.0 111.459 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -59.96 -39.99 87.52 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.342 -0.849 . . . . 0.0 111.087 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 62' ' ' ILE . 72.4 t80 -60.06 -44.59 94.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.474 -0.766 . . . . 0.0 111.801 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.5 mt -60.92 -39.97 91.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.212 -0.93 . . . . 0.0 110.799 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.4 96.65 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.535 -0.728 . . . . 0.0 109.451 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.37 -29.37 69.86 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.872 -0.518 . . . . 0.0 110.217 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' ' 57' ' ' ALA . 25.4 tp -97.77 13.8 29.17 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.277 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.94 27.52 73.64 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.725 -1.35 . . . . 0.0 109.725 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 93.5 m -114.41 151.98 32.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.502 -0.999 . . . . 0.0 109.918 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.1 p -173.14 -36.39 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.344 -0.848 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.4 m -60.07 -25.75 65.62 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.471 -0.768 . . . . 0.0 111.615 -179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.47 7.61 35.18 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.212 -0.93 . . . . 0.0 111.248 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 11' ' ' VAL . 47.5 tp -59.39 -39.96 85.05 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.293 -0.879 . . . . 0.0 110.257 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 27' ' ' THR . 39.4 t0 -52.71 -37.22 58.71 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.394 -0.816 . . . . 0.0 112.355 -178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -63.7 -40.5 96.95 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.789 -1.195 . . . . 0.0 111.051 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 84.8 m-85 -70.1 -41.57 73.85 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.387 -0.821 . . . . 0.0 111.801 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 24' ' ' ASP . 8.2 t -66.06 -39.37 90.03 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.555 -0.716 . . . . 0.0 110.143 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.7 m -67.8 -17.41 64.51 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.552 -0.717 . . . . 0.0 111.442 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -98.72 -9.42 24.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.069 -1.019 . . . . 0.0 112.635 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.86 16.75 57.66 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD23 HE21 ' A' ' 36' ' ' GLN . 7.8 mt -100.82 113.21 25.92 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.378 -1.072 . . . . 0.0 109.365 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.0 p -134.71 28.36 3.59 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 120.205 -0.598 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.09 139.42 22.37 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.215 -0.928 . . . . 0.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 tt -65.14 -30.1 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.621 -0.674 . . . . 0.0 109.357 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -60.05 -25.47 65.38 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.761 -0.587 . . . . 0.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.414 HE21 HD23 ' A' ' 31' ' ' LEU . 4.2 mm100 -69.98 -30.0 67.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.584 -0.697 . . . . 0.0 110.064 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.3 pt -111.09 13.43 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 112.543 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -59.95 -38.3 82.04 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.867 -1.145 . . . . 0.0 110.755 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -98.7 -13.21 20.36 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.451 -0.781 . . . . 0.0 111.211 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.92 139.92 57.05 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.253 -0.905 . . . . 0.0 110.549 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -101.55 -178.43 3.73 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.578 -0.701 . . . . 0.0 109.889 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.446 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 98.7 mtp -63.11 -39.91 96.07 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.529 -0.732 . . . . 0.0 110.579 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -67.25 -39.99 86.2 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.507 -0.746 . . . . 0.0 110.102 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -64.09 -34.23 77.57 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.271 0.558 . . . . 0.0 110.583 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 55' ' ' ARG . 37.5 tp -68.64 -22.96 64.38 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.572 -0.705 . . . . 0.0 111.3 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.55 -45.89 84.58 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.11 -0.994 . . . . 0.0 109.844 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -50.52 -24.7 3.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.356 -0.84 . . . . 0.0 110.466 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' ' 50' ' ' ILE . 0.6 OUTLIER -75.67 8.04 3.29 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 112.13 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 55.7 mttm 70.12 8.91 6.87 Favored 'General case' 0 N--CA 1.513 2.679 0 O-C-N 121.43 -0.794 . . . . 0.0 112.493 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 48' ' ' LEU . 25.0 mt -78.54 137.45 59.19 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 120.997 -1.065 . . . . 0.0 109.101 177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -71.35 171.44 16.12 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.639 1.336 . . . . 0.0 109.546 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.3 mt-10 -66.11 -28.83 69.11 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.023 -1.048 . . . . 0.0 110.975 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -60.18 -28.73 68.18 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.508 -0.745 . . . . 0.0 109.61 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.47 -12.08 18.09 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.65 -0.656 . . . . 0.0 111.148 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 45' ' ' LEU . 27.6 mtm-85 -71.63 -45.92 60.64 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.964 -1.085 . . . . 0.0 110.855 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -79.06 -27.79 43.11 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.337 -0.852 . . . . 0.0 110.786 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -72.53 -44.79 61.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.413 -0.804 . . . . 0.0 110.987 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.3 mt -71.84 -43.72 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.428 -0.795 . . . . 0.0 110.448 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 16.5 t90 -59.98 -39.33 85.32 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.625 -0.672 . . . . 0.0 110.566 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -59.92 -40.03 87.5 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.616 -0.677 . . . . 0.0 111.29 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.58 -32.11 59.92 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.414 HG13 ' CZ ' ' A' ' 13' ' ' PHE . 85.4 mt -68.91 -39.98 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 O-C-N 121.412 -1.052 . . . . 0.0 110.789 -179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -60.59 -44.93 95.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.235 -0.916 . . . . 0.0 109.454 -179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 81.3 m-20 -58.75 -38.01 77.48 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.183 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HA ' HD21 ' A' ' 68' ' ' LEU . 83.7 t60 -50.32 -28.53 8.04 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.633 -0.667 . . . . 0.0 110.748 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.96 -40.82 75.19 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.502 -0.749 . . . . 0.0 111.395 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -65.07 -39.99 94.05 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' C ' HD12 ' A' ' 68' ' ' LEU . 4.3 pp -73.91 -20.34 60.42 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.091 -1.005 . . . . 0.0 111.055 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -83.95 109.96 18.03 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.375 -0.828 . . . . 0.0 109.91 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -68.04 139.31 56.28 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.48 -0.762 . . . . 0.0 110.654 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 52.0 p90 . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.768 -0.582 . . . . 0.0 110.534 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo . . . . . 0 N--CA 1.489 1.245 0 N-CA-C 110.53 -0.604 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -60.51 -44.0 96.49 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.575 -0.703 . . . . 0.0 110.558 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -115.81 127.26 54.93 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.369 -0.832 . . . . 0.0 109.884 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.01 30.29 6.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.695 -0.628 . . . . 0.0 110.36 -179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.0 p -58.98 -171.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.501 -0.75 . . . . 0.0 110.946 -178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.8 mm -70.02 -38.67 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.749 -0.595 . . . . 0.0 111.186 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 23' ' ' LEU . 83.4 t -58.19 -50.89 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 121.401 -0.812 . . . . 0.0 110.851 -178.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.1 m -60.01 -42.08 93.55 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.175 -0.953 . . . . 0.0 110.926 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -59.93 -40.71 89.86 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.432 -0.792 . . . . 0.0 111.493 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.07 -39.88 87.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.009 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.26 96.71 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.206 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -61.91 -26.04 67.93 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.609 -0.682 . . . . 0.0 110.56 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.54 HD21 ' O ' ' A' ' 57' ' ' ALA . 19.2 tp -100.1 7.82 44.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.424 -0.797 . . . . 0.0 110.26 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.32 30.8 73.62 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 108.839 -1.705 . . . . 0.0 108.839 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.5 m -114.8 159.48 20.56 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.66 -0.906 . . . . 0.0 110.66 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.03 -37.62 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.371 -0.83 . . . . 0.0 109.934 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.8 m -60.5 -23.62 64.68 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.561 -0.712 . . . . 0.0 111.334 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.26 0.71 57.1 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.256 -0.903 . . . . 0.0 111.221 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 11' ' ' VAL . 53.7 tp -59.8 -40.76 89.43 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.27 -0.894 . . . . 0.0 111.058 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -54.86 -37.67 66.53 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.182 -0.949 . . . . 0.0 111.692 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -60.54 -41.16 93.9 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.196 -0.94 . . . . 0.0 110.86 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CD1' HD21 ' A' ' 48' ' ' LEU . 80.2 m-85 -69.85 -39.99 76.08 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.405 -0.809 . . . . 0.0 111.357 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -65.93 -40.03 91.04 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 119.93 -0.708 . . . . 0.0 110.47 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 m -67.85 -17.3 64.45 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.584 -0.697 . . . . 0.0 111.526 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' CB ' HD12 ' A' ' 31' ' ' LEU . 29.5 mm-40 -99.73 -8.57 24.11 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.182 -0.949 . . . . 0.0 112.451 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.6 14.09 55.92 Favored Glycine 0 N--CA 1.498 2.813 0 C-N-CA 120.058 -1.068 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 48' ' ' LEU . 2.1 mp -99.01 111.81 24.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.279 -1.13 . . . . 0.0 108.813 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 33' ' ' THR . 32.0 p -129.04 26.82 5.46 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.75 -0.593 . . . . 0.0 110.915 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -155.66 140.2 16.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.313 -0.867 . . . . 0.0 110.712 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 35' ' ' TYR . 14.9 tt -60.04 -37.54 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.522 -0.736 . . . . 0.0 110.104 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 57.5 m-85 -56.32 -21.23 22.94 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.634 -0.666 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -68.62 -38.51 80.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.468 -0.77 . . . . 0.0 110.415 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 46.2 pt -109.66 19.03 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 119.695 -0.802 . . . . 0.0 112.116 -178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 43.5 mm-40 -60.08 -36.02 76.46 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.052 -1.03 . . . . 0.0 111.02 179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -96.88 -14.4 21.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.437 -0.789 . . . . 0.0 110.675 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 9.8 m-85 -62.29 141.79 58.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.368 -0.832 . . . . 0.0 111.211 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -106.97 -175.91 2.93 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.669 -0.644 . . . . 0.0 109.427 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.454 ' HE1' ' CD2' ' A' ' 56' ' ' HIS . 64.8 mtt -60.04 -40.19 88.52 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.449 -0.782 . . . . 0.0 111.12 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -66.52 -39.98 88.92 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.212 -0.93 . . . . 0.0 111.13 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 75.8 m-20 -64.34 -34.48 78.25 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.642 -0.661 . . . . 0.0 109.853 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.622 HD23 ' HA ' ' A' ' 55' ' ' ARG . 29.0 tp -69.68 -26.69 64.49 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.818 -0.551 . . . . 0.0 111.845 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -46.15 72.27 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.897 -1.127 . . . . 0.0 110.313 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.2 t -52.75 -23.43 6.77 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.3 -0.875 . . . . 0.0 110.585 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 50' ' ' ILE . 5.4 tp -73.83 4.02 5.82 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.394 -0.816 . . . . 0.0 112.276 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 25.4 mmmt 77.54 4.29 3.07 Favored 'General case' 0 N--CA 1.516 2.83 0 O-C-N 121.666 -0.647 . . . . 0.0 111.911 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 48' ' ' LEU . 66.0 mt -78.65 152.45 77.91 Favored Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 120.71 -1.244 . . . . 0.0 109.386 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -85.81 171.46 8.25 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 O-C-N 123.55 1.29 . . . . 0.0 109.611 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.36 -30.26 71.06 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.14 -0.975 . . . . 0.0 110.577 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -60.11 -27.58 67.14 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.54 -0.725 . . . . 0.0 109.862 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' HD12 ' A' ' 58' ' ' ILE . 13.5 m-85 -100.42 -15.26 18.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.597 -0.689 . . . . 0.0 110.701 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.622 ' HA ' HD23 ' A' ' 45' ' ' LEU . 54.7 mtm-85 -70.01 -45.45 67.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.087 -1.008 . . . . 0.0 110.15 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' CD2' ' HE1' ' A' ' 42' ' ' MET . 74.2 m80 -72.51 -40.04 67.16 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.434 -0.791 . . . . 0.0 111.668 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -66.94 -42.44 85.25 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.473 -0.767 . . . . 0.0 111.758 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 54' ' ' PHE . 93.3 mt -73.51 -47.59 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.549 -0.719 . . . . 0.0 111.35 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.679 ' HA ' HD12 ' A' ' 62' ' ' ILE . 63.5 t90 -60.05 -37.82 80.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.48 -0.763 . . . . 0.0 111.302 -178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.82 -40.05 87.12 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.378 -0.826 . . . . 0.0 110.711 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.11 -32.11 69.29 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.0 mt -67.21 -40.07 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.429 -1.042 . . . . 0.0 111.114 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' C ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -60.39 -43.33 96.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.334 -0.854 . . . . 0.0 110.26 -179.313 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 90.0 m-20 -59.88 -40.1 87.56 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.306 -0.872 . . . . 0.0 110.506 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -59.98 -43.81 94.89 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.523 -0.736 . . . . 0.0 110.132 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.17 -36.79 78.37 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.627 -0.671 . . . . 0.0 110.686 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -59.9 -38.79 83.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.456 -0.778 . . . . 0.0 110.893 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -41.43 73.19 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.492 -0.755 . . . . 0.0 110.676 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -126.22 129.59 49.27 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.996 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.26 -40.1 89.14 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.21 -0.931 . . . . 0.0 109.548 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.9 t80 . . . . . 0 C--N 1.294 -1.847 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.021 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo . . . . . 0 N--CA 1.487 1.127 0 N-CA-C 110.095 -0.771 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 7' ' ' ASP . 13.4 t -61.22 -39.39 90.08 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.617 -0.677 . . . . 0.0 110.933 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 6' ' ' THR . 93.3 m-20 52.36 48.52 22.46 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.196 -0.94 . . . . 0.0 110.439 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.784 ' HB3' HD12 ' A' ' 34' ' ' ILE . 1.2 m -88.15 62.67 6.87 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.621 -0.675 . . . . 0.0 110.588 -179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.6 p -56.81 175.9 0.11 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.426 -0.796 . . . . 0.0 111.307 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.56 -37.54 78.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.857 -0.527 . . . . 0.0 110.858 -178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG22 HD21 ' A' ' 23' ' ' LEU . 60.1 t -50.14 -51.67 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.289 -0.882 . . . . 0.0 111.176 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -60.79 -40.24 91.89 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.449 -0.782 . . . . 0.0 112.056 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -59.97 -49.99 75.51 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.151 -0.968 . . . . 0.0 111.012 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.46 -40.05 95.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.491 -0.756 . . . . 0.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.01 -43.92 98.18 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.585 -0.697 . . . . 0.0 109.576 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -59.98 -31.54 70.0 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.777 -0.577 . . . . 0.0 110.056 -179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -92.3 14.39 16.52 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.489 -0.757 . . . . 0.0 110.435 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.11 72.91 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.86 142.9 51.14 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.445 -1.032 . . . . 0.0 110.732 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.34 26.74 0.24 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.4 p -111.23 -15.49 13.63 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.441 -0.787 . . . . 0.0 111.516 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 85.7 m -99.61 0.04 41.31 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.163 -0.961 . . . . 0.0 111.301 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.48 HD21 HG22 ' A' ' 11' ' ' VAL . 40.8 tp -60.02 -40.23 88.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.316 -0.865 . . . . 0.0 110.826 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -54.37 -36.55 63.98 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.38 -0.825 . . . . 0.0 111.904 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -61.92 -40.0 93.98 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.076 -1.015 . . . . 0.0 110.299 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HD11 ' A' ' 50' ' ' ILE . 87.4 m-85 -69.81 -40.01 76.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.422 -0.799 . . . . 0.0 110.626 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 74.8 p -64.35 -41.37 96.79 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.267 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.7 m -67.73 -15.14 63.49 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.669 -0.644 . . . . 0.0 111.113 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' CB ' ' CD1' ' A' ' 31' ' ' LEU . 44.5 mm-40 -100.42 -13.45 18.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.109 -0.994 . . . . 0.0 111.997 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.74 10.63 56.39 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 48' ' ' LEU . 4.6 mp -101.14 114.96 29.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.354 -1.086 . . . . 0.0 109.738 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 33' ' ' THR . 6.9 p -129.91 32.54 4.54 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.633 -0.667 . . . . 0.0 111.154 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 32' ' ' THR . 1.4 p -155.86 147.81 23.26 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.19 -0.944 . . . . 0.0 110.702 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.784 HD12 ' HB3' ' A' ' 8' ' ' CYS . 96.6 mt -62.57 -40.03 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.687 -0.633 . . . . 0.0 109.96 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.406 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 71.9 m-85 -52.95 -23.51 7.37 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.54 -0.725 . . . . 0.0 111.096 -179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.402 ' HB3' HD23 ' A' ' 31' ' ' LEU . 14.4 mm100 -69.96 -36.27 75.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.472 -0.768 . . . . 0.0 109.745 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 HD12 HD11 ' A' ' 62' ' ' ILE . 47.5 pt -99.95 2.28 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.679 -0.638 . . . . 0.0 112.102 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 57.2 mt-10 -59.92 -37.11 78.53 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.881 -1.137 . . . . 0.0 111.16 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -92.47 -24.69 18.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.327 -0.858 . . . . 0.0 110.341 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -60.01 138.63 57.81 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.424 -0.798 . . . . 0.0 110.299 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -172.57 2.16 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.532 -0.73 . . . . 0.0 109.086 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 93.3 mmm -60.82 -42.48 97.79 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.514 -0.741 . . . . 0.0 110.502 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -63.63 -39.92 95.59 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.469 -0.769 . . . . 0.0 110.554 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -65.67 -37.97 88.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.865 -0.522 . . . . 0.0 111.409 -179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 55' ' ' ARG . 33.4 tp -63.91 -36.37 83.72 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.561 -0.712 . . . . 0.0 110.534 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.72 -48.85 74.47 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.366 -0.834 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -50.05 -25.5 3.47 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.233 -0.917 . . . . 0.0 110.739 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 HD11 ' A' ' 50' ' ' ILE . 4.5 tp -75.48 10.35 1.72 Allowed 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.411 -0.805 . . . . 0.0 112.169 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 74.7 mttt 79.97 -0.16 2.08 Favored 'General case' 0 N--CA 1.515 2.793 0 C-N-CA 124.244 1.017 . . . . 0.0 111.914 179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 48' ' ' LEU . 70.7 mt -78.58 128.25 78.0 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.004 -1.06 . . . . 0.0 109.337 177.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -62.95 166.97 12.99 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 O-C-N 123.575 1.302 . . . . 0.0 110.087 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.3 mt-10 -70.01 -26.11 63.91 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.191 -0.943 . . . . 0.0 111.535 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -60.02 -35.62 75.47 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.291 -0.88 . . . . 0.0 110.352 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -95.38 -6.11 41.75 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.55 -0.719 . . . . 0.0 110.375 178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' ' 45' ' ' LEU . 12.8 mtp180 -70.94 -39.92 72.33 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.019 -1.051 . . . . 0.0 110.357 178.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -75.81 -40.06 55.67 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.554 -0.716 . . . . 0.0 110.913 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.16 74.72 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.4 -0.812 . . . . 0.0 111.651 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.34 -46.08 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.455 -0.778 . . . . 0.0 111.244 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.612 ' HA ' HD12 ' A' ' 62' ' ' ILE . 47.4 t90 -59.96 -40.04 87.65 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.544 -0.722 . . . . 0.0 111.292 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.381 -0.824 . . . . 0.0 111.454 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.12 -26.8 59.14 Favored Glycine 0 N--CA 1.498 2.817 0 N-CA-C 110.049 -1.221 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.8 mt -67.09 -35.9 75.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.56 -0.965 . . . . 0.0 110.351 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.7 mt -59.94 -51.27 70.41 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.353 -0.842 . . . . 0.0 109.996 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -58.06 -38.09 75.66 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.584 -0.698 . . . . 0.0 110.383 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -60.09 -39.9 87.73 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.52 -0.737 . . . . 0.0 109.954 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.04 -42.44 94.43 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.449 -0.782 . . . . 0.0 111.671 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.18 -36.35 83.34 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.318 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -39.95 71.43 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.434 -0.791 . . . . 0.0 110.484 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -106.96 116.7 32.39 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.737 -0.602 . . . . 0.0 109.919 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -99.99 122.48 42.95 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.623 -0.673 . . . . 0.0 109.8 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 58.4 t80 . . . . . 0 N--CA 1.493 1.697 0 O-C-N 121.63 -0.669 . . . . 0.0 110.301 -179.338 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo . . . . . 0 N--CA 1.486 1.075 0 N-CA-C 110.076 -0.778 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 m -82.91 138.4 33.87 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.457 -0.777 . . . . 0.0 109.905 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -126.77 135.34 50.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.59 -0.694 . . . . 0.0 110.186 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.51 27.32 5.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.613 -0.679 . . . . 0.0 110.46 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -59.49 169.76 1.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 122.014 0.912 . . . . 0.0 111.748 -177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 31' ' ' LEU . 96.3 mt -68.75 -33.95 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.377 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 23' ' ' LEU . 94.3 t -55.86 -52.32 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.162 0 O-C-N 121.109 -0.995 . . . . 0.0 110.636 -178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.3 m -60.02 -40.2 88.5 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.289 -0.882 . . . . 0.0 111.364 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.603 ' HB2' HD11 ' A' ' 34' ' ' ILE . 84.3 t80 -60.02 -40.1 88.15 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.468 -0.77 . . . . 0.0 110.812 -178.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 23' ' ' LEU . 76.8 mt -64.65 -39.89 94.48 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.609 -0.682 . . . . 0.0 110.67 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.75 -45.86 92.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.44 -0.787 . . . . 0.0 110.374 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -60.08 -29.02 68.29 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.543 -0.723 . . . . 0.0 110.214 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.668 HD21 ' O ' ' A' ' 57' ' ' ALA . 17.4 tp -96.52 13.06 29.31 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.596 -0.69 . . . . 0.0 110.112 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.0 27.68 73.05 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.4 m -116.85 152.46 34.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.445 -1.032 . . . . 0.0 110.091 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.8 p -173.01 -34.4 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.226 -0.921 . . . . 0.0 110.268 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -58.21 -26.41 62.8 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.369 -0.832 . . . . 0.0 111.51 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 84.5 m -90.05 2.69 54.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.173 -0.954 . . . . 0.0 111.224 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 11' ' ' VAL . 54.0 tp -58.87 -39.55 81.7 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.316 -0.865 . . . . 0.0 110.403 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -50.98 -37.54 45.4 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.256 -0.902 . . . . 0.0 112.472 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -64.33 -42.48 96.27 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.97 -1.081 . . . . 0.0 111.272 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.7 ' CE1' HD11 ' A' ' 50' ' ' ILE . 63.5 m-85 -67.45 -40.0 85.36 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.41 -0.806 . . . . 0.0 110.526 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 p -63.7 -41.78 98.07 Favored 'General case' 0 N--CA 1.496 1.832 0 C-N-CA 120.12 -0.632 . . . . 0.0 109.881 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -68.68 -14.11 62.8 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.739 -0.601 . . . . 0.0 111.328 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -98.95 -13.29 20.02 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.103 -0.998 . . . . 0.0 111.89 -178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.27 19.98 47.51 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 109.904 -1.279 . . . . 0.0 109.904 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD11 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -97.35 112.82 24.48 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -1.024 . . . . 0.0 109.408 179.148 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 p -125.94 27.17 6.42 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.165 -0.614 . . . . 0.0 111.426 -179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.42 141.75 16.33 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.039 -1.038 . . . . 0.0 110.808 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.603 HD11 ' HB2' ' A' ' 13' ' ' PHE . 93.4 mt -64.38 -39.67 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -51.85 -22.35 3.66 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.579 -0.701 . . . . 0.0 110.731 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -68.83 -38.21 79.67 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.201 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 43.6 pt -114.63 19.09 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.59 -0.694 . . . . 0.0 112.34 -178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.97 -30.37 69.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.927 -1.108 . . . . 0.0 110.555 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.65 -6.41 21.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.514 -0.741 . . . . 0.0 111.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 3.0 m-85 -58.74 144.37 43.94 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.116 -0.99 . . . . 0.0 110.712 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 m -104.49 176.02 5.3 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.618 -0.676 . . . . 0.0 110.192 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 64.0 mtt -60.65 -42.66 97.43 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.502 -0.749 . . . . 0.0 111.184 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -69.96 -39.44 76.0 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.52 -0.737 . . . . 0.0 110.968 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.66 -39.18 90.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.799 -0.563 . . . . 0.0 110.919 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 55' ' ' ARG . 17.3 tp -61.44 -17.39 54.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.589 -0.694 . . . . 0.0 111.401 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.23 72.33 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.192 -0.942 . . . . 0.0 110.754 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -50.26 -28.43 7.69 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.326 -0.859 . . . . 0.0 110.985 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.519 HD23 HD11 ' A' ' 50' ' ' ILE . 3.2 tp -73.59 1.78 9.37 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.413 -0.804 . . . . 0.0 111.951 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 31.3 mtmt 79.02 4.62 2.34 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 123.452 0.701 . . . . 0.0 112.465 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.7 HD11 ' CE1' ' A' ' 26' ' ' PHE . 74.4 mt -77.5 143.39 68.19 Favored Pre-proline 0 N--CA 1.498 1.929 0 O-C-N 121.051 -1.03 . . . . 0.0 110.098 178.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.54 165.78 31.52 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.755 1.397 . . . . 0.0 109.028 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 99.2 mt-10 -68.92 -20.44 64.23 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.139 -0.976 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -61.37 -36.32 79.89 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 122.207 1.004 . . . . 0.0 110.111 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.52 -4.29 27.01 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.869 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.634 ' HG2' HD23 ' A' ' 45' ' ' LEU . 4.1 mtt180 -71.31 -41.74 69.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.949 -1.094 . . . . 0.0 110.337 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 57' ' ' ALA . 9.5 p-80 -83.37 -28.92 28.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.328 -0.857 . . . . 0.0 110.308 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.668 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -67.51 -47.91 68.6 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -75.59 -41.03 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.466 -0.771 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -59.89 -34.83 73.7 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.709 -0.619 . . . . 0.0 111.06 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -59.76 -40.03 86.82 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.423 -0.798 . . . . 0.0 110.606 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.0 -30.8 69.75 Favored Glycine 0 N--CA 1.495 2.576 0 N-CA-C 109.95 -1.26 . . . . 0.0 109.95 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.6 mm -60.6 -45.62 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.581 -0.952 . . . . 0.0 110.918 -178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -64.73 -41.06 96.23 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.398 -0.814 . . . . 0.0 109.48 -179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.425 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 71.6 m-20 -56.63 -38.02 71.53 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.359 -0.838 . . . . 0.0 111.286 -178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.94 -40.06 87.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.345 -0.847 . . . . 0.0 110.541 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.0 -44.79 94.32 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.414 -0.804 . . . . 0.0 110.784 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.411 ' OE1' HD11 ' A' ' 63' ' ' LEU . 37.0 mt-30 -59.95 -37.32 79.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.555 -0.716 . . . . 0.0 111.087 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.03 -29.88 67.04 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.536 -0.728 . . . . 0.0 111.205 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -76.85 118.63 19.64 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.551 -0.859 . . . . 0.0 110.656 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -69.88 140.16 53.13 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.679 -0.638 . . . . 0.0 109.673 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 N--CA 1.497 1.884 0 O-C-N 121.551 -0.718 . . . . 0.0 110.146 -179.657 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo . . . . . 0 N--CA 1.488 1.152 0 N-CA-C 110.33 -0.681 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -134.38 160.03 39.2 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.659 -0.651 . . . . 0.0 109.987 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -119.98 136.54 54.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.56 -0.712 . . . . 0.0 110.223 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -115.12 39.0 3.02 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.688 -0.632 . . . . 0.0 109.7 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.2 p -55.75 175.48 0.08 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.796 0.808 . . . . 0.0 111.645 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.2 mt -67.64 -38.29 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.968 -0.458 . . . . 0.0 111.362 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG22 HD21 ' A' ' 23' ' ' LEU . 95.0 t -50.83 -50.46 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 O-C-N 121.107 -0.996 . . . . 0.0 111.134 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.6 m -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.244 -0.91 . . . . 0.0 111.378 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -59.98 -50.03 75.34 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.334 -0.854 . . . . 0.0 111.241 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.63 -39.96 90.17 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.526 -0.734 . . . . 0.0 110.491 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.0 -47.54 85.41 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.535 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.01 -27.67 67.09 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.613 -0.68 . . . . 0.0 110.538 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 18.5 tp -95.66 12.87 28.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.406 -0.809 . . . . 0.0 109.994 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.12 29.03 73.96 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 45.7 m -123.35 148.29 46.18 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.483 -1.01 . . . . 0.0 110.505 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.03 31.75 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.533 -0.73 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 m -116.73 -19.65 9.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.39 -0.819 . . . . 0.0 111.164 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 88.8 m -96.7 1.31 50.86 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 111.26 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD21 HG22 ' A' ' 11' ' ' VAL . 33.8 tp -59.92 -40.22 88.14 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.253 -0.904 . . . . 0.0 111.062 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -54.56 -36.24 64.12 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.359 -0.838 . . . . 0.0 111.818 -178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -63.83 -42.11 97.7 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.142 -0.974 . . . . 0.0 111.199 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -65.74 -42.76 90.62 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.242 -0.911 . . . . 0.0 109.956 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.6 p -64.64 -39.96 94.61 Favored 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.471 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.4 m -66.78 -18.85 65.58 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.652 -0.655 . . . . 0.0 111.221 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 -100.99 -8.27 22.54 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.151 -0.968 . . . . 0.0 112.329 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.67 0.37 56.55 Favored Glycine 0 N--CA 1.501 3.009 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.825 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.686 HD23 ' CD ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -96.25 111.47 23.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.316 -1.108 . . . . 0.0 109.433 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.589 ' HA ' HD12 ' A' ' 10' ' ' ILE . 68.6 p -131.38 21.27 4.77 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.538 -0.726 . . . . 0.0 112.481 -178.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 82.2 p -139.95 150.66 44.78 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.723 -1.235 . . . . 0.0 110.595 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 tt -73.6 -25.08 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.423 -0.798 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -69.92 -39.29 76.25 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 112.163 -178.174 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.686 ' CD ' HD23 ' A' ' 31' ' ' LEU . 7.9 pt20 -67.75 -23.74 65.27 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.049 -1.032 . . . . 0.0 110.688 -177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.2 pt -88.08 11.22 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' HG3' ' HA ' ' A' ' 35' ' ' TYR . 83.9 mt-10 -59.94 -37.37 79.32 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.266 -0.896 . . . . 0.0 112.031 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.503 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.2 p80 -104.5 -12.61 16.4 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.142 -0.974 . . . . 0.0 111.78 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 16.7 m-85 -59.98 140.47 56.72 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.153 -0.967 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.9 m -107.34 175.87 5.35 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.283 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 56' ' ' HIS . 92.8 mtp -60.17 -43.85 95.52 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.554 -0.716 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -60.38 -39.95 89.11 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.53 -0.731 . . . . 0.0 110.165 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -66.18 -33.01 74.8 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-O 121.489 0.661 . . . . 0.0 109.799 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD23 ' HG2' ' A' ' 55' ' ' ARG . 29.9 tp -66.81 -30.84 71.13 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.803 -0.561 . . . . 0.0 111.616 -179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.17 -45.27 72.05 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.126 -0.984 . . . . 0.0 110.311 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.4 t -50.24 -25.65 3.9 Favored 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.398 -0.814 . . . . 0.0 110.551 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.591 HD23 HD11 ' A' ' 50' ' ' ILE . 0.7 OUTLIER -74.09 4.51 5.43 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.571 -0.706 . . . . 0.0 111.898 179.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 39.2 mtmt 74.96 9.7 3.94 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 121.408 -0.808 . . . . 0.0 111.822 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.591 HD11 HD23 ' A' ' 48' ' ' LEU . 86.3 mt -78.61 141.56 60.59 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 120.991 -1.068 . . . . 0.0 109.775 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -71.14 170.18 18.82 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.738 1.388 . . . . 0.0 109.2 178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.95 -28.67 65.76 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.058 -1.026 . . . . 0.0 110.216 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.96 -27.28 66.69 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.722 -0.611 . . . . 0.0 110.244 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -102.5 -9.56 20.1 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.517 -0.739 . . . . 0.0 111.075 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.632 ' HG2' HD23 ' A' ' 45' ' ' LEU . 28.8 mtm105 -70.03 -46.76 64.38 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.977 -1.077 . . . . 0.0 110.712 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB3' ' HE1' ' A' ' 42' ' ' MET . 29.5 p80 -81.53 -26.64 34.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.408 -0.807 . . . . 0.0 110.806 -179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -44.01 70.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.458 -0.776 . . . . 0.0 109.878 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -73.43 -42.03 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.493 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.568 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.0 t90 -60.01 -38.0 81.37 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.573 -0.704 . . . . 0.0 110.768 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -60.02 -40.12 88.19 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.538 -0.726 . . . . 0.0 110.851 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.69 69.59 Favored Glycine 0 N--CA 1.496 2.692 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 59' ' ' TRP . 98.8 mt -67.08 -40.06 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.46 -1.024 . . . . 0.0 110.997 -179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.0 -48.12 83.04 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.336 -0.852 . . . . 0.0 110.766 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.92 -39.56 85.87 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.477 -0.764 . . . . 0.0 110.675 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -59.82 -39.97 86.84 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.55 -0.719 . . . . 0.0 110.401 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -68.56 -40.01 80.78 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.338 -0.851 . . . . 0.0 110.757 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -63.92 -40.36 96.28 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 119.936 -0.706 . . . . 0.0 112.307 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 68' ' ' LEU . 2.8 pp -74.7 -32.68 62.25 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.219 -0.926 . . . . 0.0 110.207 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -101.8 116.73 33.37 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.571 -0.705 . . . . 0.0 110.146 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -119.32 136.15 54.38 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.504 -0.748 . . . . 0.0 109.946 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.583 -0.698 . . . . 0.0 110.154 179.887 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 N--CA 1.487 1.141 0 N-CA-C 110.602 -0.576 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -60.69 -40.06 90.77 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -103.1 117.39 34.46 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.534 -0.729 . . . . 0.0 109.556 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 34' ' ' ILE . 14.5 m -109.97 22.58 15.45 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.506 -0.747 . . . . 0.0 111.444 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m -61.78 -165.15 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.199 -0.938 . . . . 0.0 110.588 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.557 HD13 ' CD1' ' A' ' 26' ' ' PHE . 92.8 mt -69.94 -38.47 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.609 -0.682 . . . . 0.0 111.748 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 23' ' ' LEU . 65.8 t -54.43 -56.87 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.255 0 O-C-N 121.074 -1.016 . . . . 0.0 111.217 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.1 m -60.02 -40.05 87.93 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.213 -0.929 . . . . 0.0 111.32 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.808 ' HB2' HD11 ' A' ' 34' ' ' ILE . 79.8 t80 -59.95 -43.36 95.07 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.474 -0.766 . . . . 0.0 111.428 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.8 mt -66.93 -39.99 87.48 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.356 -0.84 . . . . 0.0 110.64 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -46.2 90.2 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.562 -0.711 . . . . 0.0 110.149 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -60.42 -27.93 67.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.812 -0.555 . . . . 0.0 110.568 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 17' ' ' LEU . 27.0 tp -99.67 13.97 31.72 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.479 -0.763 . . . . 0.0 110.709 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.38 29.46 73.1 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.84 148.13 42.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.607 -0.937 . . . . 0.0 109.688 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 p -171.18 -35.83 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.411 -0.805 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.7 p -60.26 -21.66 62.14 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.475 -0.765 . . . . 0.0 110.967 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.1 m -91.76 0.0 57.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.249 -0.907 . . . . 0.0 110.848 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 11' ' ' VAL . 62.7 tp -60.02 -40.58 89.78 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.369 -0.832 . . . . 0.0 110.952 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -55.37 -37.39 67.46 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.34 -0.85 . . . . 0.0 112.104 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -61.54 -41.59 97.57 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.03 -1.044 . . . . 0.0 110.213 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD1' HD13 ' A' ' 10' ' ' ILE . 59.6 m-85 -65.18 -39.91 93.56 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.388 -0.82 . . . . 0.0 110.303 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.7 p -68.95 -39.94 79.22 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.679 -0.638 . . . . 0.0 110.281 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.7 m -65.38 -20.49 66.41 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 111.301 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -99.55 -4.7 30.57 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.192 -0.943 . . . . 0.0 112.638 -178.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.53 6.43 73.63 Favored Glycine 0 N--CA 1.499 2.856 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.268 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.0 mt -101.62 119.34 38.62 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.348 -1.09 . . . . 0.0 109.433 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.448 ' CA ' HD12 ' A' ' 10' ' ' ILE . 1.8 p -125.37 -26.79 3.55 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 119.74 -0.784 . . . . 0.0 112.95 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.17 159.86 16.01 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 120.809 -1.182 . . . . 0.0 111.823 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 13' ' ' PHE . 98.2 mt -69.87 -31.59 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.843 -0.536 . . . . 0.0 110.402 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 37.4 m-85 -58.27 -26.79 63.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.428 -0.795 . . . . 0.0 110.814 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -70.04 -34.28 73.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 109.249 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.6 pt -100.03 9.97 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.723 -0.61 . . . . 0.0 112.079 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 40.2 mm-40 -59.97 -35.44 74.98 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 120.957 -1.09 . . . . 0.0 110.48 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -94.45 -21.56 18.84 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.431 -0.793 . . . . 0.0 110.421 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 7.8 m-85 -60.83 134.08 56.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.343 -0.848 . . . . 0.0 110.215 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.06 -171.24 2.05 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.61 -0.681 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 89.5 mtp -61.7 -40.08 93.75 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.401 0.619 . . . . 0.0 109.739 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -67.1 -39.92 86.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.666 -0.646 . . . . 0.0 110.516 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 82.2 m-20 -64.34 -34.8 78.99 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.815 -0.553 . . . . 0.0 110.719 -179.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 55' ' ' ARG . 60.2 tp -69.8 -26.46 64.27 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.576 -0.702 . . . . 0.0 110.997 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.43 -44.18 84.48 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.236 -0.915 . . . . 0.0 110.013 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.5 t -54.35 -22.55 12.5 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.375 -0.828 . . . . 0.0 110.475 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -72.3 2.96 5.17 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.484 -0.76 . . . . 0.0 111.912 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 59.3 mttm 75.2 6.96 4.17 Favored 'General case' 0 N--CA 1.512 2.653 0 O-C-N 121.508 -0.745 . . . . 0.0 112.003 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 45' ' ' LEU . 79.1 mt -78.45 144.75 66.45 Favored Pre-proline 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 0.0 109.169 177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -70.43 172.29 13.57 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 O-C-N 123.737 1.388 . . . . 0.0 109.241 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.01 -31.95 69.87 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.035 -1.04 . . . . 0.0 110.792 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -59.88 -22.83 62.87 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.588 -0.695 . . . . 0.0 110.22 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -102.52 -10.27 19.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.484 -0.76 . . . . 0.0 110.893 178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.637 ' HA ' HD23 ' A' ' 45' ' ' LEU . 13.9 mtm180 -71.12 -45.41 63.67 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 120.935 -1.103 . . . . 0.0 110.492 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -79.8 -28.91 40.18 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.534 -0.729 . . . . 0.0 110.851 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.98 -43.57 71.18 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.557 -0.714 . . . . 0.0 110.372 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.55 -44.03 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.62 -0.675 . . . . 0.0 110.582 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.852 ' HA ' HD12 ' A' ' 62' ' ' ILE . 1.9 t90 -60.04 -39.67 86.72 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.656 -0.653 . . . . 0.0 110.739 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -59.94 -40.0 87.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.686 -0.634 . . . . 0.0 111.111 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.39 -29.81 74.58 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.852 HD12 ' HA ' ' A' ' 59' ' ' TRP . 97.6 mt -63.26 -37.77 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.549 -0.971 . . . . 0.0 110.415 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.99 -46.87 88.06 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.356 -0.84 . . . . 0.0 110.082 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.97 -40.0 87.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.562 -0.712 . . . . 0.0 110.423 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -60.0 -41.79 92.86 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.371 -0.831 . . . . 0.0 110.113 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -62.83 -38.4 90.63 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.776 -0.578 . . . . 0.0 110.787 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.06 -35.76 75.85 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.495 -0.753 . . . . 0.0 111.288 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.81 -39.52 76.48 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.503 -0.748 . . . . 0.0 110.704 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -109.48 111.06 22.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.518 -0.739 . . . . 0.0 110.493 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.54 130.3 52.19 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.657 -0.652 . . . . 0.0 109.824 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.519 -0.738 . . . . 0.0 110.038 -179.638 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo . . . . . 0 N--CA 1.487 1.109 0 N-CA-C 110.221 -0.723 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 m -101.11 134.3 44.34 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.499 -0.751 . . . . 0.0 109.918 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -129.26 174.37 9.65 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.611 -0.68 . . . . 0.0 110.301 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.433 ' O ' HG23 ' A' ' 33' ' ' THR . 46.4 t 55.12 56.2 6.78 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.577 -0.702 . . . . 0.0 111.1 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 1.8 p -163.38 158.12 20.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 108.955 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 99.0 mt -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.286 -0.884 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 23' ' ' LEU . 81.2 t -56.38 -45.79 81.72 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 O-C-N 121.487 -0.758 . . . . 0.0 110.484 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.1 t -60.21 -43.66 95.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.443 -0.785 . . . . 0.0 111.549 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -59.97 -46.89 87.97 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.471 -0.768 . . . . 0.0 111.331 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.83 -40.1 94.09 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.539 -0.726 . . . . 0.0 110.671 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.85 -44.8 93.93 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.374 -0.829 . . . . 0.0 110.201 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -60.63 -27.78 68.05 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.653 -0.655 . . . . 0.0 110.244 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 tp -96.07 11.13 35.25 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.444 -0.785 . . . . 0.0 109.998 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.95 30.1 72.36 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 m -125.12 146.31 49.53 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.598 -0.942 . . . . 0.0 111.097 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.15 28.24 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.233 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -111.15 -18.82 12.9 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.476 -0.765 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 91.6 m -94.01 4.27 54.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.303 -0.873 . . . . 0.0 111.242 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 11' ' ' VAL . 65.9 tp -58.98 -41.08 86.71 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.265 -0.897 . . . . 0.0 110.993 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -55.28 -37.59 67.49 Favored 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.157 -0.964 . . . . 0.0 112.829 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -65.12 -40.59 94.68 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.014 -1.054 . . . . 0.0 111.499 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 50' ' ' ILE . 83.5 m-85 -69.97 -40.06 75.62 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.326 -0.859 . . . . 0.0 110.465 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 44.3 p -64.82 -45.34 86.6 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.572 -0.705 . . . . 0.0 110.631 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 m -66.08 -14.14 61.23 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.494 -0.754 . . . . 0.0 111.414 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -101.11 -10.24 20.64 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.042 -1.036 . . . . 0.0 112.344 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.37 3.64 56.45 Favored Glycine 0 N--CA 1.499 2.873 0 C-N-CA 119.964 -1.112 . . . . 0.0 111.005 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 36' ' ' GLN . 4.2 mp -100.35 114.25 27.61 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.223 -1.163 . . . . 0.0 109.317 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -114.94 -20.35 10.57 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 119.602 -0.839 . . . . 0.0 112.151 -178.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -111.52 159.74 17.82 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.994 -1.066 . . . . 0.0 112.138 -178.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.7 tt -68.1 -30.96 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 CA-C-O 121.224 0.535 . . . . 0.0 110.146 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.433 ' HA ' ' CG ' ' A' ' 38' ' ' GLU . 30.8 m-85 -58.12 -25.07 60.93 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.717 -0.614 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.467 ' HB3' HD23 ' A' ' 31' ' ' LEU . 15.6 mm100 -69.98 -30.64 68.03 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HD12 HD11 ' A' ' 62' ' ' ILE . 30.6 pt -103.01 5.41 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.638 -0.664 . . . . 0.0 112.233 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 35' ' ' TYR . 41.7 mm-40 -60.34 -34.46 73.88 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.904 -1.123 . . . . 0.0 111.182 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -91.81 -24.89 19.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.385 -0.822 . . . . 0.0 111.091 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 44' ' ' ASP . 19.7 m-85 -59.8 136.25 57.94 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.584 -0.698 . . . . 0.0 110.777 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.0 m -98.25 -174.34 2.82 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.412 ' HG3' ' CD2' ' A' ' 59' ' ' TRP . 96.2 mtp -62.72 -39.96 95.69 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.364 -0.835 . . . . 0.0 110.86 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -68.8 -40.04 79.79 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.319 -0.863 . . . . 0.0 110.327 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 40' ' ' TYR . 87.5 m-20 -62.72 -36.96 84.7 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.913 -0.492 . . . . 0.0 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 55' ' ' ARG . 23.3 tp -64.44 -35.01 79.54 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.527 -0.733 . . . . 0.0 110.756 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -53.56 -47.04 70.43 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.177 -0.952 . . . . 0.0 109.769 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.9 p -50.36 -27.34 6.12 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.459 -0.776 . . . . 0.0 110.845 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -76.86 14.69 0.79 Allowed 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.298 -0.876 . . . . 0.0 112.648 -179.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 94.1 mttt 78.84 0.02 2.44 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 124.081 0.952 . . . . 0.0 112.183 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 20.8 mt -78.4 140.77 60.64 Favored Pre-proline 0 N--CA 1.497 1.878 0 O-C-N 120.906 -1.122 . . . . 0.0 109.242 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.65 173.32 14.1 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.659 1.347 . . . . 0.0 109.101 179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 98.9 mt-10 -70.03 -22.43 63.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.041 -1.037 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -60.06 -32.29 70.79 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.424 -0.797 . . . . 0.0 110.105 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -99.63 0.04 41.26 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.365 -0.834 . . . . 0.0 110.396 178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.666 ' HD2' ' HB2' ' A' ' 46' ' ' ALA . 12.3 mtp180 -74.99 -40.48 60.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.87 -1.144 . . . . 0.0 110.163 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -82.76 -31.86 28.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.493 -0.754 . . . . 0.0 110.305 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -45.55 67.96 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.977 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.12 -47.41 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 121.753 -0.592 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.1 t90 -59.97 -38.21 81.86 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.494 -0.754 . . . . 0.0 111.512 -178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -60.11 -40.09 88.46 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.38 -0.825 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.93 -31.76 69.85 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.065 -1.214 . . . . 0.0 110.065 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.475 HD11 HD12 ' A' ' 37' ' ' ILE . 88.8 mt -67.28 -39.21 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.528 -0.984 . . . . 0.0 110.672 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.7 mt -59.87 -48.94 79.67 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.39 -0.819 . . . . 0.0 110.574 -178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -59.97 -40.02 87.66 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -60.41 -40.82 92.34 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.336 -0.852 . . . . 0.0 110.495 -179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -62.45 -34.76 77.44 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 110.651 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -59.88 -36.18 76.39 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.685 -0.634 . . . . 0.0 111.337 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD11 ' CE1' ' A' ' 69' ' ' HIS . 1.1 pp -68.42 -28.43 67.07 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.264 -0.897 . . . . 0.0 110.367 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.67 ' CE1' HD11 ' A' ' 68' ' ' LEU . 95.8 m-70 -91.12 138.61 31.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.418 -0.801 . . . . 0.0 110.223 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.57 146.85 44.44 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.661 -0.649 . . . . 0.0 110.455 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.496 1.868 0 O-C-N 121.499 -0.75 . . . . 0.0 109.721 179.374 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo . . . . . 0 N--CA 1.489 1.217 0 N-CA-C 110.515 -0.61 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -120.01 130.04 54.55 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.679 -0.638 . . . . 0.0 110.064 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -89.26 125.85 35.26 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.584 -0.698 . . . . 0.0 110.188 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.58 26.44 6.73 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.675 -0.641 . . . . 0.0 109.886 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -58.17 171.47 0.55 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.492 -0.755 . . . . 0.0 110.965 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 32' ' ' THR . 95.0 mt -66.95 -36.79 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.88 -0.513 . . . . 0.0 111.383 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG22 HD21 ' A' ' 23' ' ' LEU . 65.1 t -50.06 -54.95 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 O-C-N 121.124 -0.985 . . . . 0.0 111.749 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -60.04 -40.03 87.95 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.276 -0.89 . . . . 0.0 111.611 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -59.97 -48.55 81.24 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 121.289 -0.882 . . . . 0.0 111.489 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 HD13 ' A' ' 23' ' ' LEU . 91.6 mt -60.16 -39.88 87.96 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.339 -0.851 . . . . 0.0 110.45 -179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.76 96.26 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.546 -0.721 . . . . 0.0 109.791 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -60.07 -30.47 69.25 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.732 -0.605 . . . . 0.0 110.038 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 57' ' ' ALA . 14.3 tp -93.8 15.17 17.19 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.607 -0.683 . . . . 0.0 109.906 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.5 27.92 72.45 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.3 m -125.17 144.9 50.21 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.458 -1.025 . . . . 0.0 110.656 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.73 32.48 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.6 -0.688 . . . . 0.0 109.48 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.9 p -109.82 -25.22 10.45 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.602 -0.687 . . . . 0.0 110.919 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 95.1 m -95.5 1.55 54.01 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.455 -0.778 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 HD12 ' A' ' 14' ' ' LEU . 41.1 tp -59.94 -40.33 88.57 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.314 -0.866 . . . . 0.0 110.64 -179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -51.43 -34.52 35.33 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.239 -0.913 . . . . 0.0 111.835 -178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -68.05 -39.96 82.91 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.174 -0.954 . . . . 0.0 111.084 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' A' ' 50' ' ' ILE . 78.1 m-85 -66.45 -44.43 82.85 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.217 -0.927 . . . . 0.0 110.79 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 28' ' ' THR . 9.1 t -68.71 -39.99 80.21 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 119.987 -0.685 . . . . 0.0 110.719 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.405 ' N ' HG23 ' A' ' 27' ' ' THR . 63.4 m -66.16 -19.66 65.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.581 -0.7 . . . . 0.0 110.95 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -99.85 -5.12 29.02 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.223 -0.923 . . . . 0.0 111.98 -178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.63 -4.95 64.17 Favored Glycine 0 N--CA 1.5 2.917 0 O-C-N 120.982 -1.074 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 31' ' ' LEU . 5.5 mp -91.52 111.31 22.76 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.231 -1.158 . . . . 0.0 109.468 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 45.0 p -132.3 29.43 4.3 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.663 -0.648 . . . . 0.0 111.013 -179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 p -148.5 151.46 35.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.203 -0.936 . . . . 0.0 110.408 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -68.28 -36.87 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.486 -0.758 . . . . 0.0 109.782 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -53.34 -25.39 14.98 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.552 -0.718 . . . . 0.0 110.712 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.03 -33.82 72.49 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.611 -0.681 . . . . 0.0 109.883 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 pt -102.08 5.89 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.495 -0.753 . . . . 0.0 112.417 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.01 -37.77 80.7 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.882 -1.136 . . . . 0.0 111.345 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -95.58 -21.15 18.43 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.277 -0.889 . . . . 0.0 111.26 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -61.64 140.02 58.21 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.391 -0.818 . . . . 0.0 110.464 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 t -99.86 -175.68 3.03 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.568 -0.707 . . . . 0.0 109.619 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.7 mtp -61.58 -41.37 97.31 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.654 -0.654 . . . . 0.0 110.738 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -68.14 -40.0 82.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.345 -0.847 . . . . 0.0 110.701 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -61.67 -37.49 84.26 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.743 -0.598 . . . . 0.0 110.804 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD23 ' HA ' ' A' ' 55' ' ' ARG . 33.6 tp -65.47 -23.28 66.88 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.551 -0.718 . . . . 0.0 111.002 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.26 83.91 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.113 -0.992 . . . . 0.0 110.346 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 77.0 p -51.52 -23.08 3.68 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.373 -0.829 . . . . 0.0 111.023 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD23 HD11 ' A' ' 50' ' ' ILE . 15.1 tp -74.88 8.88 2.17 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.199 -0.938 . . . . 0.0 112.301 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 40.4 mtpt 78.32 -0.16 2.59 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 123.624 0.77 . . . . 0.0 112.14 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.48 HD11 HD23 ' A' ' 48' ' ' LEU . 86.4 mt -76.94 134.35 68.43 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.022 -1.049 . . . . 0.0 109.571 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.43 169.65 16.64 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 O-C-N 123.61 1.321 . . . . 0.0 109.555 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 86.4 tt0 -67.08 -21.89 65.86 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.262 -0.899 . . . . 0.0 111.164 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -59.99 -35.5 75.15 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.408 -0.808 . . . . 0.0 110.301 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -101.0 -2.58 31.35 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.405 -0.809 . . . . 0.0 111.287 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.73 ' HA ' HD23 ' A' ' 45' ' ' LEU . 21.3 mtm180 -70.0 -43.67 70.92 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.928 -1.107 . . . . 0.0 109.536 179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.85 -23.26 36.5 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.491 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -70.07 -47.36 62.26 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.365 -0.834 . . . . 0.0 110.812 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.34 -39.93 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.772 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.541 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.3 t90 -60.69 -40.05 90.77 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 111.219 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.97 -40.0 87.57 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.467 -0.771 . . . . 0.0 110.377 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.28 69.61 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.541 HD12 ' HA ' ' A' ' 59' ' ' TRP . 93.9 mt -64.43 -40.17 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.167 -1.196 . . . . 0.0 111.456 -178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.05 -51.32 70.15 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.958 -1.089 . . . . 0.0 110.802 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -60.02 -39.17 84.93 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.509 -0.745 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.43 ' HA ' ' CD2' ' A' ' 68' ' ' LEU . 86.3 t60 -60.0 -39.98 87.66 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.716 -0.615 . . . . 0.0 110.382 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -69.88 -37.21 75.99 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.464 -0.773 . . . . 0.0 112.039 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -59.68 -39.64 85.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.601 -0.687 . . . . 0.0 111.87 -176.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' A' ' 65' ' ' HIS . 1.4 pp -70.01 -26.95 64.31 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.108 -0.995 . . . . 0.0 110.511 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -131.67 109.39 10.16 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.415 -0.803 . . . . 0.0 109.78 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -70.34 139.5 52.02 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 109.953 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 t80 . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.663 -0.648 . . . . 0.0 110.064 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo . . . . . 0 N--CA 1.488 1.157 0 N-CA-C 110.48 -0.623 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.5 p -70.0 -19.75 63.31 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.584 -0.697 . . . . 0.0 110.634 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -112.35 121.14 44.03 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.323 -0.861 . . . . 0.0 110.402 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' O ' HD12 ' A' ' 34' ' ' ILE . 4.8 t -155.76 49.89 0.53 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 24.5 p -59.39 170.13 1.06 Allowed 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.849 0.833 . . . . 0.0 111.725 -177.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.1 mt -68.84 -35.88 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.201 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 23' ' ' LEU . 64.1 t -50.08 -56.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.303 0 O-C-N 121.198 -0.939 . . . . 0.0 111.575 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -59.98 -40.0 87.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.423 -0.798 . . . . 0.0 111.679 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.94 -48.72 80.55 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.358 -0.839 . . . . 0.0 111.678 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -59.96 -37.54 79.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -45.85 91.44 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.391 -0.818 . . . . 0.0 109.714 179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -60.5 -23.74 64.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.579 -0.701 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.611 HD21 ' O ' ' A' ' 57' ' ' ALA . 16.0 tp -102.59 14.65 31.42 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.367 -0.833 . . . . 0.0 110.2 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.77 28.94 74.1 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.3 m -119.23 147.07 44.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.565 -0.962 . . . . 0.0 109.704 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.57 -36.8 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.366 -0.833 . . . . 0.0 110.087 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.0 m -52.32 -23.96 6.72 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.576 -0.703 . . . . 0.0 111.783 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 86.2 m -93.29 0.07 56.88 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.152 -0.967 . . . . 0.0 111.187 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD11 HG22 ' A' ' 11' ' ' VAL . 41.1 tp -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.232 -0.917 . . . . 0.0 110.338 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -51.05 -34.61 30.54 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.447 -0.783 . . . . 0.0 111.84 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -68.19 -39.9 82.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.123 -0.986 . . . . 0.0 111.066 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -66.2 -41.27 90.4 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.188 -0.945 . . . . 0.0 109.971 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -65.04 -40.02 94.2 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 m -66.36 -18.3 65.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.757 -0.589 . . . . 0.0 111.263 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -101.15 -11.64 19.41 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.114 -0.991 . . . . 0.0 112.068 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.01 10.72 59.53 Favored Glycine 0 N--CA 1.498 2.815 0 N-CA-C 110.509 -1.037 . . . . 0.0 110.509 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -104.29 118.22 36.11 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.359 -1.083 . . . . 0.0 110.0 179.315 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.4 p -125.5 -25.57 3.71 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 119.868 -0.733 . . . . 0.0 111.928 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' SER . 34.9 p -98.9 146.82 25.59 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.977 -1.077 . . . . 0.0 111.676 -178.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 8' ' ' CYS . 96.5 mt -62.04 -39.96 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.767 -0.583 . . . . 0.0 109.711 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -51.43 -24.91 5.46 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.521 -0.737 . . . . 0.0 111.014 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.586 ' HB3' HD23 ' A' ' 31' ' ' LEU . 6.9 mm100 -69.02 -38.97 79.52 Favored 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 119.88 -0.728 . . . . 0.0 109.437 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 39.5 pt -100.81 5.56 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.664 -0.648 . . . . 0.0 112.408 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 -32.74 71.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.957 -1.089 . . . . 0.0 110.474 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.9 -23.69 18.0 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.525 -0.735 . . . . 0.0 110.522 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 37' ' ' ILE . 22.7 m-85 -58.76 143.03 48.42 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.502 -0.749 . . . . 0.0 110.862 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.9 m -99.26 176.05 5.67 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.3 mtp -60.05 -42.9 95.44 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.462 -0.774 . . . . 0.0 110.174 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -61.17 -39.97 92.12 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.514 -0.741 . . . . 0.0 110.442 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.58 -32.77 74.32 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 121.331 0.586 . . . . 0.0 109.778 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.792 HD23 ' HG2' ' A' ' 55' ' ' ARG . 47.0 tp -67.04 -39.95 87.06 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.776 -0.578 . . . . 0.0 110.351 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.499 ' HB2' ' HD2' ' A' ' 55' ' ' ARG . . . -55.94 -49.5 73.32 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.296 -0.878 . . . . 0.0 110.258 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.3 p -51.1 -24.3 3.89 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.274 -0.891 . . . . 0.0 110.823 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 2.5 tp -76.97 13.79 0.99 Allowed 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.348 -0.845 . . . . 0.0 112.183 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 88.4 mttt 79.55 -0.91 2.2 Favored 'General case' 0 N--CA 1.511 2.593 0 C-N-CA 124.201 1.0 . . . . 0.0 111.848 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.468 HD13 HD11 ' A' ' 45' ' ' LEU . 53.3 mt -78.21 132.62 66.15 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.015 -1.053 . . . . 0.0 109.478 178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.52 153.56 76.13 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 O-C-N 123.752 1.396 . . . . 0.0 109.538 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 20.5 pt-20 -66.34 -15.27 63.13 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.064 -1.022 . . . . 0.0 111.557 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -60.12 -37.22 79.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.147 -0.971 . . . . 0.0 109.712 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -99.95 3.15 44.2 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.596 -0.69 . . . . 0.0 110.52 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.792 ' HG2' HD23 ' A' ' 45' ' ' LEU . 16.6 mtp180 -70.59 -48.11 56.84 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.981 -1.074 . . . . 0.0 110.068 179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -81.68 -29.13 33.2 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.608 -0.683 . . . . 0.0 109.975 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.611 ' O ' HD21 ' A' ' 17' ' ' LEU . . . -64.83 -47.41 78.09 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.588 -0.695 . . . . 0.0 110.767 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.85 -40.26 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.601 -0.687 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.717 ' HA ' HD12 ' A' ' 62' ' ' ILE . 4.9 t90 -60.0 -36.07 76.4 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.389 -0.819 . . . . 0.0 110.92 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -59.89 -40.13 87.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.453 -0.779 . . . . 0.0 110.877 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.97 -30.2 76.55 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.975 -1.25 . . . . 0.0 109.975 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 59' ' ' TRP . 88.6 mt -65.45 -37.41 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.546 -0.973 . . . . 0.0 110.627 -179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -49.44 77.66 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.281 -0.887 . . . . 0.0 110.05 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -59.92 -37.66 80.13 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 110.114 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.462 ' HA ' HD21 ' A' ' 68' ' ' LEU . 80.3 t60 -60.04 -39.91 87.53 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.606 -0.684 . . . . 0.0 110.678 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 -71.57 -39.95 70.28 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.488 -0.758 . . . . 0.0 111.403 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -59.98 -40.08 87.89 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.675 -0.641 . . . . 0.0 112.084 -176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 65' ' ' HIS . 2.5 pp -70.7 -30.26 66.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.042 -1.036 . . . . 0.0 110.18 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -116.5 109.38 17.2 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.385 -0.822 . . . . 0.0 109.571 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -68.71 -39.98 80.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.565 -0.709 . . . . 0.0 111.005 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.2 t80 . . . . . 0 N--CA 1.499 2.009 0 O-C-N 121.753 -0.592 . . . . 0.0 110.098 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo . . . . . 0 N--CA 1.486 1.035 0 N-CA-C 110.265 -0.706 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -66.99 -44.62 79.95 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.497 -0.752 . . . . 0.0 110.181 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 49.32 83.73 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.426 -0.796 . . . . 0.0 111.731 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.5 m -90.64 14.85 12.2 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -0.807 . . . . 0.0 110.623 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' THR . 80.6 p -61.0 170.04 1.73 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.118 -0.989 . . . . 0.0 111.809 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 26' ' ' PHE . 86.6 mt -70.09 -21.68 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.755 -0.591 . . . . 0.0 110.654 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG22 HD11 ' A' ' 23' ' ' LEU . 91.0 t -63.33 -56.01 19.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.35 -0.844 . . . . 0.0 109.815 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -60.12 -39.99 88.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.503 -0.748 . . . . 0.0 110.98 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' A' ' 58' ' ' ILE . 87.8 t80 -59.96 -48.24 82.52 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.409 -0.807 . . . . 0.0 110.686 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.92 -40.11 87.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.499 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.5 96.12 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.345 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -60.01 -30.82 69.4 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.896 -0.502 . . . . 0.0 110.025 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 17' ' ' LEU . 19.3 tp -92.27 15.4 13.82 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.659 -0.651 . . . . 0.0 110.043 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.92 26.62 69.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.3 m -124.84 134.8 52.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.55 -0.97 . . . . 0.0 110.775 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -151.87 21.7 0.69 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.506 -0.746 . . . . 0.0 110.195 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -100.04 -19.43 16.53 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.337 -0.852 . . . . 0.0 111.103 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.7 m -97.09 1.84 50.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.308 -0.87 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 11' ' ' VAL . 61.7 tp -58.81 -41.09 85.97 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.265 -0.897 . . . . 0.0 110.384 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -53.19 -36.96 61.52 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.418 -0.801 . . . . 0.0 111.814 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 49' ' ' LYS . 87.8 m-85 -64.25 -43.17 95.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.069 -1.019 . . . . 0.0 111.484 -178.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.479 ' CD1' HD13 ' A' ' 10' ' ' ILE . 75.4 m-85 -69.83 -41.11 75.38 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.082 -1.011 . . . . 0.0 111.571 -178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 28' ' ' THR . 9.0 t -69.75 -39.96 76.42 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.015 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 27' ' ' THR . 86.3 m -65.85 -20.9 66.4 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.636 -0.665 . . . . 0.0 110.697 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -98.62 -7.29 28.29 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.217 -0.927 . . . . 0.0 112.048 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.28 -2.02 67.78 Favored Glycine 0 N--CA 1.5 2.905 0 C-N-CA 120.01 -1.09 . . . . 0.0 110.49 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mp -89.55 112.39 23.57 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.406 -1.055 . . . . 0.0 108.816 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 33' ' ' THR . 76.3 p -127.58 30.48 5.33 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.633 -0.667 . . . . 0.0 111.816 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 32' ' ' THR . 0.7 OUTLIER -158.87 148.17 18.87 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.025 -1.047 . . . . 0.0 110.882 179.349 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -60.96 -38.71 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -52.31 -22.88 4.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.617 -0.677 . . . . 0.0 110.83 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -69.88 -34.63 73.83 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.492 -0.755 . . . . 0.0 109.226 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.1 pt -116.96 16.73 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.66 -0.65 . . . . 0.0 112.276 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -59.97 -34.95 73.98 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.831 -1.168 . . . . 0.0 110.275 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -100.21 -14.63 18.41 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.447 -0.783 . . . . 0.0 110.828 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.2 144.22 50.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.278 -0.889 . . . . 0.0 110.148 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -102.97 177.45 4.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.449 -0.782 . . . . 0.0 109.954 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.02 -40.95 91.07 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.505 -0.747 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -67.31 -40.0 85.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.498 -0.751 . . . . 0.0 110.419 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -64.5 -37.51 87.79 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.338 0.59 . . . . 0.0 110.704 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.698 HD23 ' HG2' ' A' ' 55' ' ' ARG . 39.5 tp -66.59 -26.51 67.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.593 -0.692 . . . . 0.0 111.003 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.61 -46.92 70.6 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.271 -0.893 . . . . 0.0 110.165 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.2 p -52.33 -24.65 7.92 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.316 -0.865 . . . . 0.0 110.473 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 HD11 ' A' ' 50' ' ' ILE . 6.0 tp -74.4 3.8 6.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.521 -0.737 . . . . 0.0 111.657 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 7.6 mtmt 80.01 5.61 1.84 Allowed 'General case' 0 N--CA 1.513 2.724 0 C-N-CA 123.449 0.7 . . . . 0.0 111.769 179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.548 ' CD1' HD11 ' A' ' 45' ' ' LEU . 67.4 mt -77.53 144.23 69.5 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 120.991 -1.068 . . . . 0.0 109.883 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -79.96 160.43 24.08 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 O-C-N 123.641 1.337 . . . . 0.0 109.227 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 86.4 tt0 -63.08 -28.65 70.23 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.099 -1.0 . . . . 0.0 110.272 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -59.95 -31.42 69.85 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.625 -0.672 . . . . 0.0 109.794 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -100.63 -14.56 18.1 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.731 -0.606 . . . . 0.0 110.998 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.698 ' HG2' HD23 ' A' ' 45' ' ' LEU . 26.7 mtm180 -68.67 -44.1 74.77 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 52' ' ' GLU . 17.7 p80 -81.04 -26.41 36.38 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.275 -0.89 . . . . 0.0 110.965 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.01 -43.98 70.25 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.359 -0.838 . . . . 0.0 109.827 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' HE2' ' A' ' 13' ' ' PHE . 86.2 mt -72.19 -41.64 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.609 -0.682 . . . . 0.0 110.297 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.816 ' HA ' HD12 ' A' ' 62' ' ' ILE . 6.6 t90 -60.02 -38.73 83.56 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.555 -0.715 . . . . 0.0 111.061 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -59.97 -39.97 87.46 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.46 -0.775 . . . . 0.0 110.7 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.45 -31.29 73.77 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.816 HD12 ' HA ' ' A' ' 59' ' ' TRP . 96.9 mt -64.41 -38.22 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.607 -0.937 . . . . 0.0 110.639 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.09 -48.62 80.97 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.308 -0.87 . . . . 0.0 110.451 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -59.95 -40.01 87.52 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.458 -0.776 . . . . 0.0 110.628 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HA ' HD23 ' A' ' 68' ' ' LEU . 85.7 t60 -60.03 -44.57 94.55 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.498 -0.751 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttt-85 -62.16 -40.05 94.72 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.426 -0.796 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -60.43 -39.98 89.41 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.816 -0.553 . . . . 0.0 112.023 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD23 ' HA ' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -70.07 -30.73 68.04 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.212 -0.93 . . . . 0.0 110.747 -178.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -60.13 -39.91 87.93 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.466 -0.771 . . . . 0.0 110.074 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -106.91 139.94 40.51 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.629 -0.67 . . . . 0.0 110.556 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.646 -0.659 . . . . 0.0 109.997 179.763 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo . . . . . 0 N--CA 1.486 1.069 0 N-CA-C 110.358 -0.67 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.6 m -105.58 133.31 50.53 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.608 -0.682 . . . . 0.0 110.083 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 52.76 45.37 28.84 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 111.016 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.8 t -72.97 68.13 0.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.559 -0.713 . . . . 0.0 109.319 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 p -61.91 -169.54 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.751 -0.593 . . . . 0.0 111.001 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.3 mt -71.03 -23.28 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.619 -0.675 . . . . 0.0 110.994 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.1 t -63.95 -57.82 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.256 -0.903 . . . . 0.0 109.312 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.5 m -59.98 -40.02 87.68 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.712 -0.618 . . . . 0.0 111.339 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -59.33 -48.79 80.31 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.424 -0.798 . . . . 0.0 111.238 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.34 -40.01 93.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.462 -0.773 . . . . 0.0 110.56 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.98 -47.26 86.55 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.427 -0.796 . . . . 0.0 109.939 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -59.97 -29.47 68.46 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.712 -0.618 . . . . 0.0 110.326 -179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD21 ' O ' ' A' ' 57' ' ' ALA . 15.8 tp -94.91 15.28 19.04 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.484 -0.76 . . . . 0.0 110.342 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.83 27.89 73.53 Favored Glycine 0 N--CA 1.496 2.639 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 95.5 m -120.92 141.15 50.91 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.489 -1.007 . . . . 0.0 110.503 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 40.2 t -166.29 34.33 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.465 -0.772 . . . . 0.0 109.313 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.07 -25.79 7.51 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.534 -0.729 . . . . 0.0 110.884 -179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 66.3 m -95.92 6.58 48.53 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.372 -0.83 . . . . 0.0 111.481 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.1 tp -58.43 -39.99 81.3 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.243 -0.911 . . . . 0.0 109.943 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -56.92 -39.53 74.63 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.51 -0.744 . . . . 0.0 112.404 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -62.08 -42.62 99.39 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.878 -1.139 . . . . 0.0 111.013 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -65.15 -40.0 93.78 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.294 -0.879 . . . . 0.0 110.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 80.5 p -67.99 -39.96 83.17 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.119 -0.632 . . . . 0.0 110.246 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.3 m -65.3 -20.08 66.25 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.688 . . . . 0.0 111.336 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -100.91 -7.99 22.93 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.113 -0.992 . . . . 0.0 112.25 -178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.88 0.45 57.49 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.985 -1.072 . . . . 0.0 110.844 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 mp -94.18 112.02 23.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.257 -1.143 . . . . 0.0 109.755 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -129.66 25.98 5.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.521 -0.737 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -149.58 147.52 28.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.144 -0.972 . . . . 0.0 110.315 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 tt -65.2 -27.78 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 110.257 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' CD1' ' OE2' ' A' ' 38' ' ' GLU . 27.8 m-85 -59.98 -28.6 67.81 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.54 -0.725 . . . . 0.0 110.318 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' O ' ' CE1' ' A' ' 40' ' ' TYR . 9.1 mm100 -69.98 -31.28 68.91 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.578 -0.701 . . . . 0.0 110.553 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.638 HD12 HD11 ' A' ' 62' ' ' ILE . 29.4 pt -101.84 11.23 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.293 -0.879 . . . . 0.0 112.35 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' OE2' ' CD1' ' A' ' 35' ' ' TYR . 78.1 mt-10 -59.96 -38.73 83.32 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.908 -1.12 . . . . 0.0 112.125 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.501 ' CE1' ' CE1' ' A' ' 40' ' ' TYR . 31.8 p80 -101.77 -8.76 21.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.022 -1.049 . . . . 0.0 111.513 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 14.2 m-85 -60.7 137.96 58.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.218 -0.926 . . . . 0.0 110.351 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 m -100.71 176.17 5.4 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.636 . . . . 0.0 109.549 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 98.1 mtp -60.17 -39.98 88.34 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.426 -0.796 . . . . 0.0 110.417 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -69.08 -39.97 78.74 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.519 -0.738 . . . . 0.0 110.656 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.91 -38.3 90.42 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.77 -0.581 . . . . 0.0 111.123 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.616 ' HG ' HD12 ' A' ' 50' ' ' ILE . 35.2 tp -65.08 -22.78 67.01 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.521 -0.737 . . . . 0.0 110.749 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.44 -47.26 76.31 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.232 -0.917 . . . . 0.0 110.067 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -51.48 -25.51 6.62 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.4 -0.812 . . . . 0.0 110.205 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -73.06 1.95 8.02 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.636 -0.665 . . . . 0.0 111.821 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 36.4 mtmt 79.56 5.93 2.0 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.501 0.72 . . . . 0.0 112.018 179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.616 HD12 ' HG ' ' A' ' 45' ' ' LEU . 84.2 mt -77.53 134.26 66.17 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.107 -0.995 . . . . 0.0 110.053 178.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.71 166.79 23.04 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 N-CA-C 108.621 -1.338 . . . . 0.0 108.621 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' HB2' ' A' ' 55' ' ' ARG . 95.6 mt-10 -66.21 -27.79 68.25 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.991 -1.068 . . . . 0.0 110.778 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.25 -30.43 69.43 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.543 -0.723 . . . . 0.0 110.141 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -99.54 -17.54 17.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.406 -0.809 . . . . 0.0 110.663 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 45' ' ' LEU . 15.4 mtm180 -65.78 -40.01 91.55 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.116 -0.99 . . . . 0.0 110.947 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' ND1' ' N ' ' A' ' 57' ' ' ALA . 20.0 p80 -81.64 -30.66 32.71 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.259 -0.901 . . . . 0.0 111.513 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' N ' ' ND1' ' A' ' 56' ' ' HIS . . . -69.35 -40.0 77.78 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.201 -0.937 . . . . 0.0 110.381 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -75.36 -44.0 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.7 -0.625 . . . . 0.0 110.98 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.697 ' HA ' HD12 ' A' ' 62' ' ' ILE . 21.8 t90 -60.1 -40.49 89.83 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.355 -0.841 . . . . 0.0 112.33 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmtm -59.95 -39.58 86.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.27 -0.894 . . . . 0.0 111.469 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -68.82 -29.13 72.63 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.697 HD12 ' HA ' ' A' ' 59' ' ' TRP . 85.5 mt -68.41 -40.67 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 121.345 -1.091 . . . . 0.0 111.325 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.04 -48.82 80.13 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.26 -0.9 . . . . 0.0 110.586 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.05 -39.98 87.84 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.633 -0.667 . . . . 0.0 111.021 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.97 -41.4 91.89 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.29 -0.881 . . . . 0.0 109.442 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -60.03 -42.77 95.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.632 -0.668 . . . . 0.0 109.916 179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -60.02 -33.06 71.5 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.72 -0.612 . . . . 0.0 110.022 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -34.86 74.06 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.698 -0.626 . . . . 0.0 110.425 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.19 121.32 44.13 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.444 -0.785 . . . . 0.0 110.413 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -108.94 130.1 55.45 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.513 -0.742 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.496 1.832 0 O-C-N 121.494 -0.754 . . . . 0.0 110.046 179.904 . . . . . . . . 0 0 . 1 stop_ save_